N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17(24),19,21-heptaen-6-yl)oxy]acetamide

C27H35N7O4 — CID 146048147

IUPACN-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17(24),19,21-heptaen-6-yl)oxy]acetamide
SMILESCN1CCCN(C)C(=O)COc2cc(ccc2OCC(=O)NC2CCCC2)Nc2ncnc3c2=C(CN=3)C1
InChIInChI=1S/C27H35N7O4/c1-33-10-5-11-34(2)24(36)16-38-22-12-20(32-27-25-18(14-33)13-28-26(25)29-17-30-27)8-9-21(22)37-15-23(35)31-19-6-3-4-7-19/h8-9,12,17,19H,3-7,10-11,13-16H2,1-2H3,(H,31,35)(H,28,29,30,32)
InChIKeyQNJMEWKTXFQQJR-UHFFFAOYSA-N
MW521.62 g/mol
LogP0.61
Rot. Bonds4

About N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17(24),19,21-heptaen-6-yl)oxy]acetamide

N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17(24),19,21-heptaen-6-yl)oxy]acetamide (PubChem CID 146048147) has the molecular formula C27H35N7O4 and a molecular weight of 521.62 g/mol. Its IUPAC name is N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17(24),19,21-heptaen-6-yl)oxy]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17(24),19,21-heptaen-6-yl)oxy]acetamide
PubChem CID146048147
Molecular FormulaC27H35N7O4
Molecular Weight521.62 g/mol
Exact Mass521.28
IUPAC NameN-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17(24),19,21-heptaen-6-yl)oxy]acetamide
SMILESCN1CCCN(C)C(=O)COc2cc(ccc2OCC(=O)NC2CCCC2)Nc2ncnc3c2=C(CN=3)C1
InChIInChI=1S/C27H35N7O4/c1-33-10-5-11-34(2)24(36)16-38-22-12-20(32-27-25-18(14-33)13-28-26(25)29-17-30-27)8-9-21(22)37-15-23(35)31-19-6-3-4-7-19/h8-9,12,17,19H,3-7,10-11,13-16H2,1-2H3,(H,31,35)(H,28,29,30,32)
InChIKeyQNJMEWKTXFQQJR-UHFFFAOYSA-N
XLogP0.61
TPSA121.28 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.62
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17(24),19,21-heptaen-6-yl)oxy]acetamide 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

N-cyclohexyl-4-[6-[2-(2,5-dimethylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]butanamide
CID 46035371
2-(2-bromo-4-propan-2-ylphenoxy)-N-cyclopentylacetamide
CID 893611
6-(3-ethoxypropyl)-11,15,19-trimethyl-8-oxa-11,15,19,21,23-pentazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(24),3(25),4,6,17,20,22-heptaen-10-one
CID 143753421
N-cyclohexyl-2-[6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 7292933
N-cyclohexyl-2-[6-[2-(2-methoxy-4-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 46035563
2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide
CID 19201445
2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
CID 104704670
N-cyclopentyl-2-(2-formyl-4-methylphenoxy)acetamide
CID 63324573
N-cyclopentyl-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]acetamide
CID 43416744
[2-(cyclopentylamino)-2-oxoethyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 9463774
2-[4-[(3,4-dimethylphenyl)sulfamoyl]-2-methylphenoxy]-N-(1-methylpiperidin-4-yl)acetamide
CID 99968078
2-(2-amino-4-formylphenoxy)-N-cyclopentylacetamide
CID 82057064

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17(24),19,21-heptaen-6-yl)oxy]acetamide?
The IUPAC name of N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17(24),19,21-heptaen-6-yl)oxy]acetamide (CID 146048147) is N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17(24),19,21-heptaen-6-yl)oxy]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17(24),19,21-heptaen-6-yl)oxy]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17(24),19,21-heptaen-6-yl)oxy]acetamide is CN1CCCN(C)C(=O)COc2cc(ccc2OCC(=O)NC2CCCC2)Nc2ncnc3c2=C(CN=3)C1.
What is the InChIKey of N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17(24),19,21-heptaen-6-yl)oxy]acetamide?
The InChIKey is QNJMEWKTXFQQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O4/c1-33-10-5-11-34(2)24(36)16-38-22-12-20(32-27-25-18(14-33)13-28-26(25)29-17-30-27)8-9-21(22)37-15-23(35)31-19-6-3-4-7-19/h8-9,12,17,19H,3-7,10-11,13-16H2,1-2H3,(H,31,35)(H,28,29,30,32).
What are the key properties of N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17(24),19,21-heptaen-6-yl)oxy]acetamide?
N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17(24),19,21-heptaen-6-yl)oxy]acetamide has a molecular weight of 521.62 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17(24),19,21-heptaen-6-yl)oxy]acetamide is sourced from PubChem (CID 146048147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).