(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-N,N-di(propan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide

C26H41NO — CID 14844513

IUPAC(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-N,N-di(propan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide
SMILESCC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=CCC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
InChIInChI=1S/C26H41NO/c1-17(2)27(18(3)4)24(28)23-13-12-21-20-11-10-19-9-7-8-15-25(19,5)22(20)14-16-26(21,23)6/h7,9-10,17-18,20-23H,8,11-16H2,1-6H3/t20-,21-,22-,23+,25-,26-/m0/s1
InChIKeyKQEPQNXUPSQKPE-PDVSWFIFSA-N
MW383.62 g/mol
LogP6.38
Rot. Bonds3

About (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-N,N-di(propan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide

(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-N,N-di(propan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide (PubChem CID 14844513) has the molecular formula C26H41NO and a molecular weight of 383.62 g/mol. Its IUPAC name is (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-N,N-di(propan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide.

Molecular Properties

Compound Name(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-N,N-di(propan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide
PubChem CID14844513
Molecular FormulaC26H41NO
Molecular Weight383.62 g/mol
Exact Mass383.32
IUPAC Name(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-N,N-di(propan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide
SMILESCC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=CCC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
InChIInChI=1S/C26H41NO/c1-17(2)27(18(3)4)24(28)23-13-12-21-20-11-10-19-9-7-8-15-25(19,5)22(20)14-16-26(21,23)6/h7,9-10,17-18,20-23H,8,11-16H2,1-6H3/t20-,21-,22-,23+,25-,26-/m0/s1
InChIKeyKQEPQNXUPSQKPE-PDVSWFIFSA-N
XLogP6.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.62
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-N,N-di(propan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-N,N-di(propan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide?
The IUPAC name of (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-N,N-di(propan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide (CID 14844513) is (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-N,N-di(propan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide.
What is the SMILES notation for (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-N,N-di(propan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide?
The canonical SMILES for (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-N,N-di(propan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide is CC(C)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=CCC[C@]4(C)[C@H]3CC[C@]12C)C(C)C.
What is the InChIKey of (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-N,N-di(propan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide?
The InChIKey is KQEPQNXUPSQKPE-PDVSWFIFSA-N. The full InChI is InChI=1S/C26H41NO/c1-17(2)27(18(3)4)24(28)23-13-12-21-20-11-10-19-9-7-8-15-25(19,5)22(20)14-16-26(21,23)6/h7,9-10,17-18,20-23H,8,11-16H2,1-6H3/t20-,21-,22-,23+,25-,26-/m0/s1.
What are the key properties of (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-N,N-di(propan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide?
(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-N,N-di(propan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide has a molecular weight of 383.62 g/mol, XLogP of 6.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-N,N-di(propan-2-yl)-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide is sourced from PubChem (CID 14844513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).