1-acetyl-N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide

C21H22N2O2 — CID 95620460

IUPAC1-acetyl-N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)N[C@H]3c4ccccc4C[C@@H]3C)ccc21
InChIInChI=1S/C21H22N2O2/c1-13-11-15-5-3-4-6-18(15)20(13)22-21(25)17-7-8-19-16(12-17)9-10-23(19)14(2)24/h3-8,12-13,20H,9-11H2,1-2H3,(H,22,25)/t13-,20+/m0/s1
InChIKeyZHUKEXJNZYKXEC-RNODOKPDSA-N
MW334.42 g/mol
LogP3.26
Rot. Bonds2

About 1-acetyl-N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide

1-acetyl-N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide (PubChem CID 95620460) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-acetyl-N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide
PubChem CID95620460
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name1-acetyl-N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide
SMILESCC(=O)N1CCc2cc(C(=O)N[C@H]3c4ccccc4C[C@@H]3C)ccc21
InChIInChI=1S/C21H22N2O2/c1-13-11-15-5-3-4-6-18(15)20(13)22-21(25)17-7-8-19-16(12-17)9-10-23(19)14(2)24/h3-8,12-13,20H,9-11H2,1-2H3,(H,22,25)/t13-,20+/m0/s1
InChIKeyZHUKEXJNZYKXEC-RNODOKPDSA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-acetyl-N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide with MolForge

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Related Compounds

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4-methoxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
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1-acetyl-N-(2,2-dimethyloxan-4-yl)-2,3-dihydroindole-5-carboxamide
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CID 51266821
1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 24550296
1-propanoyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dihydroindole-5-carboxamide
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1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
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2-[[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]methyl]-3-phenylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide (CID 95620460) is 1-acetyl-N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)N[C@H]3c4ccccc4C[C@@H]3C)ccc21.
What is the InChIKey of 1-acetyl-N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is ZHUKEXJNZYKXEC-RNODOKPDSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-13-11-15-5-3-4-6-18(15)20(13)22-21(25)17-7-8-19-16(12-17)9-10-23(19)14(2)24/h3-8,12-13,20H,9-11H2,1-2H3,(H,22,25)/t13-,20+/m0/s1.
What are the key properties of 1-acetyl-N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 95620460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).