N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]acetamide

C22H21N3O3 — CID 10248886

IUPACN-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]acetamide
SMILESCC(=O)Nc1cc2c3c(c4ccccc4cc3c1)C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C22H21N3O3/c1-13(26)23-16-11-15-10-14-6-4-5-7-17(14)20-19(15)18(12-16)21(27)25(22(20)28)9-8-24(2)3/h4-7,10-12H,8-9H2,1-3H3,(H,23,26)
InChIKeyVTTLRYVOLZHRNB-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.11
Rot. Bonds4

About N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]acetamide

N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]acetamide (PubChem CID 10248886) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]acetamide.

Molecular Properties

Compound NameN-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]acetamide
PubChem CID10248886
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]acetamide
SMILESCC(=O)Nc1cc2c3c(c4ccccc4cc3c1)C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C22H21N3O3/c1-13(26)23-16-11-15-10-14-6-4-5-7-17(14)20-19(15)18(12-16)21(27)25(22(20)28)9-8-24(2)3/h4-7,10-12H,8-9H2,1-3H3,(H,23,26)
InChIKeyVTTLRYVOLZHRNB-UHFFFAOYSA-N
XLogP3.11
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]acetamide with MolForge

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Related Compounds

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Pigment Red 149
CID 62555
Grl-0617
CID 24941262
T-226296
CID 9865843
Solvent Yellow 44
CID 75589
4-Amino-N-phenyl-1,8-naphthalimide
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1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-amino-2-(2-(diethylamino)ethyl)-
CID 328773
6-[N-(4-Ethyl-1,2,3,4-Tetrahydro-6-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine
CID 447731
6-[N-(1-Isopropyl-1,2,3,4-Tetrahydro-7-Isoquinolinyl)Carbamyl]-2-Naphthalenecarboxamidine
CID 447736

Frequently Asked Questions

What is the IUPAC name of N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]acetamide?
The IUPAC name of N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]acetamide (CID 10248886) is N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]acetamide.
What is the SMILES notation for N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]acetamide?
The canonical SMILES for N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]acetamide is CC(=O)Nc1cc2c3c(c4ccccc4cc3c1)C(=O)N(CCN(C)C)C2=O.
What is the InChIKey of N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]acetamide?
The InChIKey is VTTLRYVOLZHRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-13(26)23-16-11-15-10-14-6-4-5-7-17(14)20-19(15)18(12-16)21(27)25(22(20)28)9-8-24(2)3/h4-7,10-12H,8-9H2,1-3H3,(H,23,26).
What are the key properties of N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]acetamide?
N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]acetamide has a molecular weight of 375.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-11-yl]acetamide is sourced from PubChem (CID 10248886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).