N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(3,4-dimethoxyphenyl)acetamide

C30H42N2O4 — CID 22873548

IUPACN-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC[C@H]2CC[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)cc1OC
InChIInChI=1S/C30H42N2O4/c1-29-14-12-23-21(8-11-26-30(23,2)15-13-28(34)32(26)3)22(29)9-7-20(29)18-31-27(33)17-19-6-10-24(35-4)25(16-19)36-5/h6,10,13,15-16,20-23,26H,7-9,11-12,14,17-18H2,1-5H3,(H,31,33)/t20-,21+,22+,23+,26-,29-,30-/m1/s1
InChIKeyVESKUKJQAOUPLT-XODSMVQQSA-N
MW494.68 g/mol
LogP4.62
Rot. Bonds6

About N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(3,4-dimethoxyphenyl)acetamide

N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 22873548) has the molecular formula C30H42N2O4 and a molecular weight of 494.68 g/mol. Its IUPAC name is N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID22873548
Molecular FormulaC30H42N2O4
Molecular Weight494.68 g/mol
Exact Mass494.31
IUPAC NameN-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC[C@H]2CC[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)cc1OC
InChIInChI=1S/C30H42N2O4/c1-29-14-12-23-21(8-11-26-30(23,2)15-13-28(34)32(26)3)22(29)9-7-20(29)18-31-27(33)17-19-6-10-24(35-4)25(16-19)36-5/h6,10,13,15-16,20-23,26H,7-9,11-12,14,17-18H2,1-5H3,(H,31,33)/t20-,21+,22+,23+,26-,29-,30-/m1/s1
InChIKeyVESKUKJQAOUPLT-XODSMVQQSA-N
XLogP4.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.68
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(3,4-dimethoxyphenyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(3,4-dimethoxyphenyl)acetamide (CID 22873548) is N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)NC[C@H]2CC[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]23C)cc1OC.
What is the InChIKey of N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is VESKUKJQAOUPLT-XODSMVQQSA-N. The full InChI is InChI=1S/C30H42N2O4/c1-29-14-12-23-21(8-11-26-30(23,2)15-13-28(34)32(26)3)22(29)9-7-20(29)18-31-27(33)17-19-6-10-24(35-4)25(16-19)36-5/h6,10,13,15-16,20-23,26H,7-9,11-12,14,17-18H2,1-5H3,(H,31,33)/t20-,21+,22+,23+,26-,29-,30-/m1/s1.
What are the key properties of N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(3,4-dimethoxyphenyl)acetamide?
N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 494.68 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-1-yl]methyl]-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 22873548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).