2-(azepan-1-yl)-N-(2-propanoyl-3H-inden-1-yl)acetamide

C20H26N2O2 — CID 177002245

IUPAC2-(azepan-1-yl)-N-(2-propanoyl-3H-inden-1-yl)acetamide
SMILESCCC(=O)C1=C(NC(=O)CN2CCCCCC2)c2ccccc2C1
InChIInChI=1S/C20H26N2O2/c1-2-18(23)17-13-15-9-5-6-10-16(15)20(17)21-19(24)14-22-11-7-3-4-8-12-22/h5-6,9-10H,2-4,7-8,11-14H2,1H3,(H,21,24)
InChIKeyBGMDHTSJSNVGJH-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.93
Rot. Bonds5

About 2-(azepan-1-yl)-N-(2-propanoyl-3H-inden-1-yl)acetamide

2-(azepan-1-yl)-N-(2-propanoyl-3H-inden-1-yl)acetamide (PubChem CID 177002245) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(2-propanoyl-3H-inden-1-yl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(2-propanoyl-3H-inden-1-yl)acetamide
PubChem CID177002245
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-(azepan-1-yl)-N-(2-propanoyl-3H-inden-1-yl)acetamide
SMILESCCC(=O)C1=C(NC(=O)CN2CCCCCC2)c2ccccc2C1
InChIInChI=1S/C20H26N2O2/c1-2-18(23)17-13-15-9-5-6-10-16(15)20(17)21-19(24)14-22-11-7-3-4-8-12-22/h5-6,9-10H,2-4,7-8,11-14H2,1H3,(H,21,24)
InChIKeyBGMDHTSJSNVGJH-UHFFFAOYSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]methyl]acetamide
CID 3012799
2-methyl-N-(2-methylpropyl)-1-[(2-phenylphenyl)methyl]azepane-2-carboxamide
CID 46947971
N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-methylbenzamide
CID 71583421
3-Isoquinolinecarboxamide, 1,2-dihydro-2,4-dimethyl-N-(2-(dimethylamino)ethyl)-1-oxo-
CID 353020
N-(5-acetyl-1-allyl-6-methyl-2-oxo-1,2-dihydro-3-pyridinyl)benzenecarboxamide
CID 1471157
(S)-2-Amino-N-((S)-3-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[D]azepin-1-YL)propanamide
CID 44178407
3-(Dimethylamino)-4-(3-methylbenzoyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 486964
N-[2-(diethylamino)ethyl]-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide
CID 9550278
1'-(2,2-dimethylpropyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one
CID 118740533
1'-(3-methylbutyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one
CID 118740535
2-benzyl-3-methyl-N-(3-methylbutyl)-1-oxo-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxamide
CID 46259438
N-[1-[(2-methylphenyl)methyl]-2-oxoazepan-3-yl]cyclobutanecarboxamide
CID 56835642

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(2-propanoyl-3H-inden-1-yl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(2-propanoyl-3H-inden-1-yl)acetamide (CID 177002245) is 2-(azepan-1-yl)-N-(2-propanoyl-3H-inden-1-yl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(2-propanoyl-3H-inden-1-yl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(2-propanoyl-3H-inden-1-yl)acetamide is CCC(=O)C1=C(NC(=O)CN2CCCCCC2)c2ccccc2C1.
What is the InChIKey of 2-(azepan-1-yl)-N-(2-propanoyl-3H-inden-1-yl)acetamide?
The InChIKey is BGMDHTSJSNVGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-2-18(23)17-13-15-9-5-6-10-16(15)20(17)21-19(24)14-22-11-7-3-4-8-12-22/h5-6,9-10H,2-4,7-8,11-14H2,1H3,(H,21,24).
What are the key properties of 2-(azepan-1-yl)-N-(2-propanoyl-3H-inden-1-yl)acetamide?
2-(azepan-1-yl)-N-(2-propanoyl-3H-inden-1-yl)acetamide has a molecular weight of 326.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(2-propanoyl-3H-inden-1-yl)acetamide is sourced from PubChem (CID 177002245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).