[(3R,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-(2-ethoxyethyl)carbamate

C24H37NO4 — CID 11661360

IUPAC[(3R,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-(2-ethoxyethyl)carbamate
SMILESCCOCCNC(=O)O[C@@H]1CC[C@@]2(C)C(=CCC3C2CC[C@]2(C)C(=O)CCC32)C1
InChIInChI=1S/C24H37NO4/c1-4-28-14-13-25-22(27)29-17-9-11-23(2)16(15-17)5-6-18-19-7-8-21(26)24(19,3)12-10-20(18)23/h5,17-20H,4,6-15H2,1-3H3,(H,25,27)/t17-,18?,19?,20?,23+,24+/m1/s1
InChIKeyFKOJAKMJIGKXIB-PJXIQYHFSA-N
MW403.56 g/mol
LogP4.65
Rot. Bonds5

About [(3R,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-(2-ethoxyethyl)carbamate

[(3R,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-(2-ethoxyethyl)carbamate (PubChem CID 11661360) has the molecular formula C24H37NO4 and a molecular weight of 403.56 g/mol. Its IUPAC name is [(3R,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-(2-ethoxyethyl)carbamate.

Molecular Properties

Compound Name[(3R,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-(2-ethoxyethyl)carbamate
PubChem CID11661360
Molecular FormulaC24H37NO4
Molecular Weight403.56 g/mol
Exact Mass403.27
IUPAC Name[(3R,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-(2-ethoxyethyl)carbamate
SMILESCCOCCNC(=O)O[C@@H]1CC[C@@]2(C)C(=CCC3C2CC[C@]2(C)C(=O)CCC32)C1
InChIInChI=1S/C24H37NO4/c1-4-28-14-13-25-22(27)29-17-9-11-23(2)16(15-17)5-6-18-19-7-8-21(26)24(19,3)12-10-20(18)23/h5,17-20H,4,6-15H2,1-3H3,(H,25,27)/t17-,18?,19?,20?,23+,24+/m1/s1
InChIKeyFKOJAKMJIGKXIB-PJXIQYHFSA-N
XLogP4.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.56
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(3R,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-(2-ethoxyethyl)carbamate 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

[(3S,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] propanoate
CID 177275611
[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] 2-chloroacetate
CID 99573896
bis[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] butanedioate
CID 67415839
[(3S,8R,9S,10R,13S,14R)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
CID 11878079
[(3S,10R)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
CID 143189890
[(3R,8R,9R,10R,13S,14R)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] heptanoate
CID 11893678
[(3R,8S,9R,10R,13R,14R)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] heptanoate
CID 124897796
[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hexadecanoate
CID 57034374
[(3R,8S,9S,10R,13S,14R)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] heptanoate
CID 7284992
4-[[(3R,8S,9R,10R,13S,14R)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
CID 124867880
(3S,10R,13S)-3-methoxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 70857153
2-[[(3S,8S,9R,10R,13S,14R)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]acetic acid
CID 125034210

Frequently Asked Questions

What is the IUPAC name of [(3R,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-(2-ethoxyethyl)carbamate?
The IUPAC name of [(3R,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-(2-ethoxyethyl)carbamate (CID 11661360) is [(3R,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-(2-ethoxyethyl)carbamate.
What is the SMILES notation for [(3R,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-(2-ethoxyethyl)carbamate?
The canonical SMILES for [(3R,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-(2-ethoxyethyl)carbamate is CCOCCNC(=O)O[C@@H]1CC[C@@]2(C)C(=CCC3C2CC[C@]2(C)C(=O)CCC32)C1.
What is the InChIKey of [(3R,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-(2-ethoxyethyl)carbamate?
The InChIKey is FKOJAKMJIGKXIB-PJXIQYHFSA-N. The full InChI is InChI=1S/C24H37NO4/c1-4-28-14-13-25-22(27)29-17-9-11-23(2)16(15-17)5-6-18-19-7-8-21(26)24(19,3)12-10-20(18)23/h5,17-20H,4,6-15H2,1-3H3,(H,25,27)/t17-,18?,19?,20?,23+,24+/m1/s1.
What are the key properties of [(3R,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-(2-ethoxyethyl)carbamate?
[(3R,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-(2-ethoxyethyl)carbamate has a molecular weight of 403.56 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-(2-ethoxyethyl)carbamate is sourced from PubChem (CID 11661360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).