N,6,13-trimethyl-16-oxo-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-diene-7-carboxamide

C23H32N2O2 — CID 10067628

IUPACN,6,13-trimethyl-16-oxo-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-diene-7-carboxamide
SMILESCNC(=O)N1CC23CCC4C(CCC5=CC(=O)C=CC54C)C2CCC3C1C
InChIInChI=1S/C23H32N2O2/c1-14-18-6-7-20-17-5-4-15-12-16(26)8-10-22(15,2)19(17)9-11-23(18,20)13-25(14)21(27)24-3/h8,10,12,14,17-20H,4-7,9,11,13H2,1-3H3,(H,24,27)
InChIKeyKNUQMCFQGBKYPW-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.93
Rot. Bonds

About N,6,13-trimethyl-16-oxo-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-diene-7-carboxamide

N,6,13-trimethyl-16-oxo-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-diene-7-carboxamide (PubChem CID 10067628) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is N,6,13-trimethyl-16-oxo-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-diene-7-carboxamide.

Molecular Properties

Compound NameN,6,13-trimethyl-16-oxo-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-diene-7-carboxamide
PubChem CID10067628
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC NameN,6,13-trimethyl-16-oxo-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-diene-7-carboxamide
SMILESCNC(=O)N1CC23CCC4C(CCC5=CC(=O)C=CC54C)C2CCC3C1C
InChIInChI=1S/C23H32N2O2/c1-14-18-6-7-20-17-5-4-15-12-16(26)8-10-22(15,2)19(17)9-11-23(18,20)13-25(14)21(27)24-3/h8,10,12,14,17-20H,4-7,9,11,13H2,1-3H3,(H,24,27)
InChIKeyKNUQMCFQGBKYPW-UHFFFAOYSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(8S,9S,10R,13R,14S)-10,13,17-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 154118159
(1R,2S,5R,6S,9S,12S,13S)-6,13-dimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-7,14,17-trien-16-one
CID 162933434
(8R,10R,13S,17S)-17-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 46780880
(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 121225309
[(8R,9S,10R,13S,14S,17R)-13-ethyl-10-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate
CID 154103372
(8R,9S,10S,13S,14S)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
CID 12882269
(1R,5R,6S,7S,10R,14R)-5',5',6,14-tetramethylspiro[8-oxapentacyclo[11.8.0.02,10.05,10.014,19]henicosa-15,18-diene-7,2'-oxolane]-17-one
CID 163114442
(8S,9S,10R,13R,14S,16S)-10,13,16-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 57179209
(4aR,4bS,10aR,10bR,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromene-2,8-dione
CID 124541022
(8R,9S,10R,13S,14S,16R,17R)-16,17-dihydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 122228219
(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-17-(trifluoromethyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
CID 12019719
(8S,9S,10R,13R,14S,17S)-17-ethyl-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
CID 22850613

Frequently Asked Questions

What is the IUPAC name of N,6,13-trimethyl-16-oxo-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-diene-7-carboxamide?
The IUPAC name of N,6,13-trimethyl-16-oxo-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-diene-7-carboxamide (CID 10067628) is N,6,13-trimethyl-16-oxo-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-diene-7-carboxamide.
What is the SMILES notation for N,6,13-trimethyl-16-oxo-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-diene-7-carboxamide?
The canonical SMILES for N,6,13-trimethyl-16-oxo-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-diene-7-carboxamide is CNC(=O)N1CC23CCC4C(CCC5=CC(=O)C=CC54C)C2CCC3C1C.
What is the InChIKey of N,6,13-trimethyl-16-oxo-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-diene-7-carboxamide?
The InChIKey is KNUQMCFQGBKYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-14-18-6-7-20-17-5-4-15-12-16(26)8-10-22(15,2)19(17)9-11-23(18,20)13-25(14)21(27)24-3/h8,10,12,14,17-20H,4-7,9,11,13H2,1-3H3,(H,24,27).
What are the key properties of N,6,13-trimethyl-16-oxo-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-diene-7-carboxamide?
N,6,13-trimethyl-16-oxo-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-diene-7-carboxamide has a molecular weight of 368.52 g/mol, XLogP of 3.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6,13-trimethyl-16-oxo-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icosa-14,17-diene-7-carboxamide is sourced from PubChem (CID 10067628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).