N-but-2-ynyl-8-oxo-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-but-3-ynyl-8-oxo-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-8-oxo-N-propan-2-yl-7-(2-prop-2-ynoxyphenyl)cyclopenta[a]acenaphthylene-9-carboxamide;8-oxo-N-pent-4-ynyl-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide

C123H114N4O15 — CID 158639092

IUPACN-but-2-ynyl-8-oxo-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-but-3-ynyl-8-oxo-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-8-oxo-N-propan-2-yl-7-(2-prop-2-ynoxyphenyl)cyclopenta[a]acenaphthylene-9-carboxamide;8-oxo-N-pent-4-ynyl-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide
SMILESC#CCCCN(C(=O)C1=C2C(=C(c3ccccc3)C1=O)c1cccc3cccc2c13)C(C)C.C#CCCN(C(=O)C1=C2C(=CC1=O)c1cccc3cccc2c13)C(C)C.C#CCOc1ccccc1C1=C2C(=C(C(=O)N(CCOCCOCCOCCOCCOCCOC)C(C)C)C1=O)c1cccc3cccc2c13.CC#CCN(C(=O)C1=C2C(=C(c3ccccc3)C1=O)c1cccc3cccc2c13)C(C)C
InChIInChI=1S/C41H47NO9.C30H25NO2.C29H23NO2.C23H19NO2/c1-5-17-51-34-15-7-6-12-31(34)38-36-32-13-8-10-30-11-9-14-33(35(30)32)37(36)39(40(38)43)41(44)42(29(2)3)16-18-46-21-22-48-25-26-50-28-27-49-24-23-47-20-19-45-4;1-4-5-9-18-31(19(2)3)30(33)28-27-23-17-11-15-20-14-10-16-22(24(20)23)26(27)25(29(28)32)21-12-7-6-8-13-21;1-4-5-17-30(18(2)3)29(32)27-26-22-16-10-14-19-13-9-15-21(23(19)22)25(26)24(28(27)31)20-11-7-6-8-12-20;1-4-5-12-24(14(2)3)23(26)22-19(25)13-18-16-10-6-8-15-9-7-11-17(20(15)16)21(18)22/h1,6-15,29H,16-28H2,2-4H3;1,6-8,10-17,19H,5,9,18H2,2-3H3;6-16,18H,17H2,1-3H3;1,6-11,13-14H,5,12H2,2-3H3
InChIKeyIADKZKBISYIAMU-UHFFFAOYSA-N
MW1888.28 g/mol
LogP20.02
Rot. Bonds37

About N-but-2-ynyl-8-oxo-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-but-3-ynyl-8-oxo-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-8-oxo-N-propan-2-yl-7-(2-prop-2-ynoxyphenyl)cyclopenta[a]acenaphthylene-9-carboxamide;8-oxo-N-pent-4-ynyl-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide

N-but-2-ynyl-8-oxo-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-but-3-ynyl-8-oxo-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-8-oxo-N-propan-2-yl-7-(2-prop-2-ynoxyphenyl)cyclopenta[a]acenaphthylene-9-carboxamide;8-oxo-N-pent-4-ynyl-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide (PubChem CID 158639092) has the molecular formula C123H114N4O15 and a molecular weight of 1888.28 g/mol. Its IUPAC name is N-but-2-ynyl-8-oxo-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-but-3-ynyl-8-oxo-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-8-oxo-N-propan-2-yl-7-(2-prop-2-ynoxyphenyl)cyclopenta[a]acenaphthylene-9-carboxamide;8-oxo-N-pent-4-ynyl-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide.

Molecular Properties

Compound NameN-but-2-ynyl-8-oxo-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-but-3-ynyl-8-oxo-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-8-oxo-N-propan-2-yl-7-(2-prop-2-ynoxyphenyl)cyclopenta[a]acenaphthylene-9-carboxamide;8-oxo-N-pent-4-ynyl-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide
PubChem CID158639092
Molecular FormulaC123H114N4O15
Molecular Weight1888.28 g/mol
Exact Mass1886.83
IUPAC NameN-but-2-ynyl-8-oxo-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-but-3-ynyl-8-oxo-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-8-oxo-N-propan-2-yl-7-(2-prop-2-ynoxyphenyl)cyclopenta[a]acenaphthylene-9-carboxamide;8-oxo-N-pent-4-ynyl-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide
SMILESC#CCCCN(C(=O)C1=C2C(=C(c3ccccc3)C1=O)c1cccc3cccc2c13)C(C)C.C#CCCN(C(=O)C1=C2C(=CC1=O)c1cccc3cccc2c13)C(C)C.C#CCOc1ccccc1C1=C2C(=C(C(=O)N(CCOCCOCCOCCOCCOCCOC)C(C)C)C1=O)c1cccc3cccc2c13.CC#CCN(C(=O)C1=C2C(=C(c3ccccc3)C1=O)c1cccc3cccc2c13)C(C)C
InChIInChI=1S/C41H47NO9.C30H25NO2.C29H23NO2.C23H19NO2/c1-5-17-51-34-15-7-6-12-31(34)38-36-32-13-8-10-30-11-9-14-33(35(30)32)37(36)39(40(38)43)41(44)42(29(2)3)16-18-46-21-22-48-25-26-50-28-27-49-24-23-47-20-19-45-4;1-4-5-9-18-31(19(2)3)30(33)28-27-23-17-11-15-20-14-10-16-22(24(20)23)26(27)25(29(28)32)21-12-7-6-8-13-21;1-4-5-17-30(18(2)3)29(32)27-26-22-16-10-14-19-13-9-15-21(23(19)22)25(26)24(28(27)31)20-11-7-6-8-12-20;1-4-5-12-24(14(2)3)23(26)22-19(25)13-18-16-10-6-8-15-9-7-11-17(20(15)16)21(18)22/h1,6-15,29H,16-28H2,2-4H3;1,6-8,10-17,19H,5,9,18H2,2-3H3;6-16,18H,17H2,1-3H3;1,6-11,13-14H,5,12H2,2-3H3
InChIKeyIADKZKBISYIAMU-UHFFFAOYSA-N
XLogP20.02
TPSA214.13 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds37
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001888.28
LogP ≤ 520.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-but-2-ynyl-8-oxo-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-but-3-ynyl-8-oxo-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-8-oxo-N-propan-2-yl-7-(2-prop-2-ynoxyphenyl)cyclopenta[a]acenaphthylene-9-carboxamide;8-oxo-N-pent-4-ynyl-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cumene;8-oxo-7-phenyl-N-(3-phenylsulfanylprop-2-ynyl)-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide
CID 144977269
N-[3-[diphenyl(propan-2-yl)silyl]prop-2-ynyl]-N-methyl-8-oxo-7-phenylcyclopenta[a]acenaphthylene-9-carboxamide
CID 142354618
7-(2-ethynyl-5-methylidene-2,3-dihydro-1,4-benzodioxepin-9-yl)-N-(2-methoxyethyl)-8-oxo-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;7-(2-ethynyl-5-methylidene-2,3-dihydro-1,4-benzodioxepin-9-yl)-9-(morpholine-4-carbonyl)cyclopenta[a]acenaphthylen-8-one
CID 161297176
3-prop-2-ynoxyphenalen-1-one
CID 142428114
(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(pent-4-ynyl)amino]propanoic acid
CID 170987921
6-[2-methoxyethyl(propan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 82960080
2-iodo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82951561
2-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82960765
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]anthracene-9,10-dione
CID 14472276
2-[3-[2-(2-methoxyethoxy)ethoxy]propyl]naphthalene-1,4-dione
CID 159661269
2,3-bis[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione
CID 132569255
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-8-oxo-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-but-3-ynyl-8-oxo-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-8-oxo-N-propan-2-yl-7-(2-prop-2-ynoxyphenyl)cyclopenta[a]acenaphthylene-9-carboxamide;8-oxo-N-pent-4-ynyl-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide?
The IUPAC name of N-but-2-ynyl-8-oxo-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-but-3-ynyl-8-oxo-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-8-oxo-N-propan-2-yl-7-(2-prop-2-ynoxyphenyl)cyclopenta[a]acenaphthylene-9-carboxamide;8-oxo-N-pent-4-ynyl-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide (CID 158639092) is N-but-2-ynyl-8-oxo-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-but-3-ynyl-8-oxo-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-8-oxo-N-propan-2-yl-7-(2-prop-2-ynoxyphenyl)cyclopenta[a]acenaphthylene-9-carboxamide;8-oxo-N-pent-4-ynyl-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide.
What is the SMILES notation for N-but-2-ynyl-8-oxo-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-but-3-ynyl-8-oxo-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-8-oxo-N-propan-2-yl-7-(2-prop-2-ynoxyphenyl)cyclopenta[a]acenaphthylene-9-carboxamide;8-oxo-N-pent-4-ynyl-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide?
The canonical SMILES for N-but-2-ynyl-8-oxo-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-but-3-ynyl-8-oxo-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-8-oxo-N-propan-2-yl-7-(2-prop-2-ynoxyphenyl)cyclopenta[a]acenaphthylene-9-carboxamide;8-oxo-N-pent-4-ynyl-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide is C#CCCCN(C(=O)C1=C2C(=C(c3ccccc3)C1=O)c1cccc3cccc2c13)C(C)C.C#CCCN(C(=O)C1=C2C(=CC1=O)c1cccc3cccc2c13)C(C)C.C#CCOc1ccccc1C1=C2C(=C(C(=O)N(CCOCCOCCOCCOCCOCCOC)C(C)C)C1=O)c1cccc3cccc2c13.CC#CCN(C(=O)C1=C2C(=C(c3ccccc3)C1=O)c1cccc3cccc2c13)C(C)C.
What is the InChIKey of N-but-2-ynyl-8-oxo-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-but-3-ynyl-8-oxo-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-8-oxo-N-propan-2-yl-7-(2-prop-2-ynoxyphenyl)cyclopenta[a]acenaphthylene-9-carboxamide;8-oxo-N-pent-4-ynyl-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide?
The InChIKey is IADKZKBISYIAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H47NO9.C30H25NO2.C29H23NO2.C23H19NO2/c1-5-17-51-34-15-7-6-12-31(34)38-36-32-13-8-10-30-11-9-14-33(35(30)32)37(36)39(40(38)43)41(44)42(29(2)3)16-18-46-21-22-48-25-26-50-28-27-49-24-23-47-20-19-45-4;1-4-5-9-18-31(19(2)3)30(33)28-27-23-17-11-15-20-14-10-16-22(24(20)23)26(27)25(29(28)32)21-12-7-6-8-13-21;1-4-5-17-30(18(2)3)29(32)27-26-22-16-10-14-19-13-9-15-21(23(19)22)25(26)24(28(27)31)20-11-7-6-8-12-20;1-4-5-12-24(14(2)3)23(26)22-19(25)13-18-16-10-6-8-15-9-7-11-17(20(15)16)21(18)22/h1,6-15,29H,16-28H2,2-4H3;1,6-8,10-17,19H,5,9,18H2,2-3H3;6-16,18H,17H2,1-3H3;1,6-11,13-14H,5,12H2,2-3H3.
What are the key properties of N-but-2-ynyl-8-oxo-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-but-3-ynyl-8-oxo-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-8-oxo-N-propan-2-yl-7-(2-prop-2-ynoxyphenyl)cyclopenta[a]acenaphthylene-9-carboxamide;8-oxo-N-pent-4-ynyl-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide?
N-but-2-ynyl-8-oxo-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-but-3-ynyl-8-oxo-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-8-oxo-N-propan-2-yl-7-(2-prop-2-ynoxyphenyl)cyclopenta[a]acenaphthylene-9-carboxamide;8-oxo-N-pent-4-ynyl-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide has a molecular weight of 1888.28 g/mol, XLogP of 20.02, 37 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-8-oxo-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-but-3-ynyl-8-oxo-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide;N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-8-oxo-N-propan-2-yl-7-(2-prop-2-ynoxyphenyl)cyclopenta[a]acenaphthylene-9-carboxamide;8-oxo-N-pent-4-ynyl-7-phenyl-N-propan-2-ylcyclopenta[a]acenaphthylene-9-carboxamide is sourced from PubChem (CID 158639092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).