4-(7,13-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl)-N-ethylbutanamide

C25H43NO — CID 145049861

IUPAC4-(7,13-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl)-N-ethylbutanamide
SMILESCCNC(=O)CCCC1CCC2C3C(C)CC4CCCCC4C3CCC12C
InChIInChI=1S/C25H43NO/c1-4-26-23(27)11-7-9-19-12-13-22-24-17(2)16-18-8-5-6-10-20(18)21(24)14-15-25(19,22)3/h17-22,24H,4-16H2,1-3H3,(H,26,27)
InChIKeyPREHKOUACDCLCV-UHFFFAOYSA-N
MW373.63 g/mol
LogP6.20
Rot. Bonds5

About 4-(7,13-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl)-N-ethylbutanamide

4-(7,13-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl)-N-ethylbutanamide (PubChem CID 145049861) has the molecular formula C25H43NO and a molecular weight of 373.63 g/mol. Its IUPAC name is 4-(7,13-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl)-N-ethylbutanamide.

Molecular Properties

Compound Name4-(7,13-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl)-N-ethylbutanamide
PubChem CID145049861
Molecular FormulaC25H43NO
Molecular Weight373.63 g/mol
Exact Mass373.33
IUPAC Name4-(7,13-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl)-N-ethylbutanamide
SMILESCCNC(=O)CCCC1CCC2C3C(C)CC4CCCCC4C3CCC12C
InChIInChI=1S/C25H43NO/c1-4-26-23(27)11-7-9-19-12-13-22-24-17(2)16-18-8-5-6-10-20(18)21(24)14-15-25(19,22)3/h17-22,24H,4-16H2,1-3H3,(H,26,27)
InChIKeyPREHKOUACDCLCV-UHFFFAOYSA-N
XLogP6.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.63
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(7,13-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl)-N-ethylbutanamide 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

methyl 4-(7-hydroxy-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl)butanoate
CID 129255905
4-[(5S,8S,10S,13R,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-nonadecylbutanamide
CID 146539574
2-[4-[(8S,9R,13R,17S)-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoylamino]ethanesulfonic acid
CID 121245681
2-[4-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanoylamino]acetic acid;methane
CID 172568184
4-[(8S)-7-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid
CID 138654434
4-[5-(2-ethyl-1-sulfanylcyclohexyl)-4,7a-dimethyl-1,2,3,3a,4,5,6,7-octahydroinden-1-yl]-N-(3-hydroxysulfanylpropyl)butanamide
CID 166654580
[4-[(3R,7S,8S,9S,10S,13R,14S,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoylamino]methanesulfonic acid
CID 130436286
acetylene;4-[(10S,13R,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-propan-2-ylbutanamide
CID 142305150
4-(7-hydroxy-6,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanamide
CID 169174923
4-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanoic acid;methylcyclopropane
CID 145259153
4-[(6R)-7-hydroxy-6,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid
CID 145364623
2-[4-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butanoylamino]-4-methylpentanoic acid
CID 174176857

Frequently Asked Questions

What is the IUPAC name of 4-(7,13-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl)-N-ethylbutanamide?
The IUPAC name of 4-(7,13-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl)-N-ethylbutanamide (CID 145049861) is 4-(7,13-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl)-N-ethylbutanamide.
What is the SMILES notation for 4-(7,13-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl)-N-ethylbutanamide?
The canonical SMILES for 4-(7,13-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl)-N-ethylbutanamide is CCNC(=O)CCCC1CCC2C3C(C)CC4CCCCC4C3CCC12C.
What is the InChIKey of 4-(7,13-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl)-N-ethylbutanamide?
The InChIKey is PREHKOUACDCLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43NO/c1-4-26-23(27)11-7-9-19-12-13-22-24-17(2)16-18-8-5-6-10-20(18)21(24)14-15-25(19,22)3/h17-22,24H,4-16H2,1-3H3,(H,26,27).
What are the key properties of 4-(7,13-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl)-N-ethylbutanamide?
4-(7,13-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl)-N-ethylbutanamide has a molecular weight of 373.63 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,13-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl)-N-ethylbutanamide is sourced from PubChem (CID 145049861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).