(1S,5aR,9aR,11aS)-N,N-dicyclohexyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromene-1-carboxamide

C31H49NO3 — CID 66549823

IUPAC(1S,5aR,9aR,11aS)-N,N-dicyclohexyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromene-1-carboxamide
SMILESC[C@]12CCC3C(CC[C@H]4OC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C31H49NO3/c1-30-19-17-25-23(13-16-27-31(25,2)20-18-28(33)35-27)24(30)14-15-26(30)29(34)32(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h21-27H,3-20H2,1-2H3/t23?,24?,25?,26-,27-,30+,31-/m1/s1
InChIKeyOAPAMSBLNRVWNG-VIUWZLCVSA-N
MW483.74 g/mol
LogP7.04
Rot. Bonds3

About (1S,5aR,9aR,11aS)-N,N-dicyclohexyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromene-1-carboxamide

(1S,5aR,9aR,11aS)-N,N-dicyclohexyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromene-1-carboxamide (PubChem CID 66549823) has the molecular formula C31H49NO3 and a molecular weight of 483.74 g/mol. Its IUPAC name is (1S,5aR,9aR,11aS)-N,N-dicyclohexyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromene-1-carboxamide.

Molecular Properties

Compound Name(1S,5aR,9aR,11aS)-N,N-dicyclohexyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromene-1-carboxamide
PubChem CID66549823
Molecular FormulaC31H49NO3
Molecular Weight483.74 g/mol
Exact Mass483.37
IUPAC Name(1S,5aR,9aR,11aS)-N,N-dicyclohexyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromene-1-carboxamide
SMILESC[C@]12CCC3C(CC[C@H]4OC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C31H49NO3/c1-30-19-17-25-23(13-16-27-31(25,2)20-18-28(33)35-27)24(30)14-15-26(30)29(34)32(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h21-27H,3-20H2,1-2H3/t23?,24?,25?,26-,27-,30+,31-/m1/s1
InChIKeyOAPAMSBLNRVWNG-VIUWZLCVSA-N
XLogP7.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.74
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,5aR,9aR,11aS)-N,N-dicyclohexyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromene-1-carboxamide with MolForge

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Related Compounds

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CID 20475
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9a,11a-dimethyl-1-pyridin-3-yl-3a,3b,4,5,5a,8,9,9b,10,11-decahydro-3H-indeno[5,4-f]chromen-7-one
CID 76732019
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N,9a,11a-trimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (1S,5aR,9aR,11aS)-N,N-dicyclohexyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromene-1-carboxamide?
The IUPAC name of (1S,5aR,9aR,11aS)-N,N-dicyclohexyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromene-1-carboxamide (CID 66549823) is (1S,5aR,9aR,11aS)-N,N-dicyclohexyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromene-1-carboxamide.
What is the SMILES notation for (1S,5aR,9aR,11aS)-N,N-dicyclohexyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromene-1-carboxamide?
The canonical SMILES for (1S,5aR,9aR,11aS)-N,N-dicyclohexyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromene-1-carboxamide is C[C@]12CCC3C(CC[C@H]4OC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of (1S,5aR,9aR,11aS)-N,N-dicyclohexyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromene-1-carboxamide?
The InChIKey is OAPAMSBLNRVWNG-VIUWZLCVSA-N. The full InChI is InChI=1S/C31H49NO3/c1-30-19-17-25-23(13-16-27-31(25,2)20-18-28(33)35-27)24(30)14-15-26(30)29(34)32(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h21-27H,3-20H2,1-2H3/t23?,24?,25?,26-,27-,30+,31-/m1/s1.
What are the key properties of (1S,5aR,9aR,11aS)-N,N-dicyclohexyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromene-1-carboxamide?
(1S,5aR,9aR,11aS)-N,N-dicyclohexyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromene-1-carboxamide has a molecular weight of 483.74 g/mol, XLogP of 7.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5aR,9aR,11aS)-N,N-dicyclohexyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]chromene-1-carboxamide is sourced from PubChem (CID 66549823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).