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

C26H33NO3 — CID 70253111

IUPAC(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-benzyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]chromene-1-carboxamide
SMILESC[C@]12C=CC(=O)O[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)NCc3ccccc3)CC[C@@H]12
InChIInChI=1S/C26H33NO3/c1-25-14-12-20-18(8-11-22-26(20,2)15-13-23(28)30-22)19(25)9-10-21(25)24(29)27-16-17-6-4-3-5-7-17/h3-7,13,15,18-22H,8-12,14,16H2,1-2H3,(H,27,29)/t18-,19-,20-,21+,22+,25-,26+/m0/s1
InChIKeyVDPKQCMYCUWKEE-BJWOPKJYSA-N
MW407.55 g/mol
LogP4.64
Rot. Bonds3

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

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-benzyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]chromene-1-carboxamide (PubChem CID 70253111) has the molecular formula C26H33NO3 and a molecular weight of 407.55 g/mol. Its IUPAC name is (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-benzyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]chromene-1-carboxamide.

Molecular Properties

Compound Name(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-benzyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]chromene-1-carboxamide
PubChem CID70253111
Molecular FormulaC26H33NO3
Molecular Weight407.55 g/mol
Exact Mass407.25
IUPAC Name(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-benzyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]chromene-1-carboxamide
SMILESC[C@]12C=CC(=O)O[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)NCc3ccccc3)CC[C@@H]12
InChIInChI=1S/C26H33NO3/c1-25-14-12-20-18(8-11-22-26(20,2)15-13-23(28)30-22)19(25)9-10-21(25)24(29)27-16-17-6-4-3-5-7-17/h3-7,13,15,18-22H,8-12,14,16H2,1-2H3,(H,27,29)/t18-,19-,20-,21+,22+,25-,26+/m0/s1
InChIKeyVDPKQCMYCUWKEE-BJWOPKJYSA-N
XLogP4.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.55
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-benzyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]chromene-1-carboxamide?
The IUPAC name of (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-benzyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]chromene-1-carboxamide (CID 70253111) is (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-benzyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]chromene-1-carboxamide.
What is the SMILES notation for (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-benzyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]chromene-1-carboxamide?
The canonical SMILES for (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-benzyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]chromene-1-carboxamide is C[C@]12C=CC(=O)O[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)NCc3ccccc3)CC[C@@H]12.
What is the InChIKey of (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-benzyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]chromene-1-carboxamide?
The InChIKey is VDPKQCMYCUWKEE-BJWOPKJYSA-N. The full InChI is InChI=1S/C26H33NO3/c1-25-14-12-20-18(8-11-22-26(20,2)15-13-23(28)30-22)19(25)9-10-21(25)24(29)27-16-17-6-4-3-5-7-17/h3-7,13,15,18-22H,8-12,14,16H2,1-2H3,(H,27,29)/t18-,19-,20-,21+,22+,25-,26+/m0/s1.
What are the key properties of (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-benzyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]chromene-1-carboxamide?
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-benzyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]chromene-1-carboxamide has a molecular weight of 407.55 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-benzyl-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]chromene-1-carboxamide is sourced from PubChem (CID 70253111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).