N-[(5R,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-aminoacetamide

C23H38N2O2 — CID 21125849

IUPACN-[(5R,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-aminoacetamide
SMILESCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC(NC(=O)CN)[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C23H38N2O2/c1-14(26)17-9-10-18-16-8-7-15-5-4-6-20(25-21(27)13-24)23(15,3)19(16)11-12-22(17,18)2/h15-20H,4-13,24H2,1-3H3,(H,25,27)/t15-,16+,17-,18+,19+,20?,22-,23+/m1/s1
InChIKeyKSIKGCGDOKSWQA-LHBHLWIGSA-N
MW374.57 g/mol
LogP3.68
Rot. Bonds3

About N-[(5R,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-aminoacetamide

N-[(5R,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-aminoacetamide (PubChem CID 21125849) has the molecular formula C23H38N2O2 and a molecular weight of 374.57 g/mol. Its IUPAC name is N-[(5R,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-aminoacetamide.

Molecular Properties

Compound NameN-[(5R,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-aminoacetamide
PubChem CID21125849
Molecular FormulaC23H38N2O2
Molecular Weight374.57 g/mol
Exact Mass374.29
IUPAC NameN-[(5R,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-aminoacetamide
SMILESCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC(NC(=O)CN)[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=1S/C23H38N2O2/c1-14(26)17-9-10-18-16-8-7-15-5-4-6-20(25-21(27)13-24)23(15,3)19(16)11-12-22(17,18)2/h15-20H,4-13,24H2,1-3H3,(H,25,27)/t15-,16+,17-,18+,19+,20?,22-,23+/m1/s1
InChIKeyKSIKGCGDOKSWQA-LHBHLWIGSA-N
XLogP3.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.57
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(5R,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-aminoacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(5R,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-aminoacetamide?
The IUPAC name of N-[(5R,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-aminoacetamide (CID 21125849) is N-[(5R,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-aminoacetamide.
What is the SMILES notation for N-[(5R,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-aminoacetamide?
The canonical SMILES for N-[(5R,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-aminoacetamide is CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC(NC(=O)CN)[C@]4(C)[C@H]3CC[C@]12C.
What is the InChIKey of N-[(5R,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-aminoacetamide?
The InChIKey is KSIKGCGDOKSWQA-LHBHLWIGSA-N. The full InChI is InChI=1S/C23H38N2O2/c1-14(26)17-9-10-18-16-8-7-15-5-4-6-20(25-21(27)13-24)23(15,3)19(16)11-12-22(17,18)2/h15-20H,4-13,24H2,1-3H3,(H,25,27)/t15-,16+,17-,18+,19+,20?,22-,23+/m1/s1.
What are the key properties of N-[(5R,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-aminoacetamide?
N-[(5R,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-aminoacetamide has a molecular weight of 374.57 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,8S,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-aminoacetamide is sourced from PubChem (CID 21125849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).