2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone

C23H27N3O2 — CID 54835226

IUPAC2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(c1ccc(NCC(=O)N2CCc3ccccc32)cc1)N1CCCCCC1
InChIInChI=1S/C23H27N3O2/c27-22(26-16-13-18-7-3-4-8-21(18)26)17-24-20-11-9-19(10-12-20)23(28)25-14-5-1-2-6-15-25/h3-4,7-12,24H,1-2,5-6,13-17H2
InChIKeyUSEXPPCZXKMSMR-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.70
Rot. Bonds4

About 2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone

2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 54835226) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID54835226
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(c1ccc(NCC(=O)N2CCc3ccccc32)cc1)N1CCCCCC1
InChIInChI=1S/C23H27N3O2/c27-22(26-16-13-18-7-3-4-8-21(18)26)17-24-20-11-9-19(10-12-20)23(28)25-14-5-1-2-6-15-25/h3-4,7-12,24H,1-2,5-6,13-17H2
InChIKeyUSEXPPCZXKMSMR-UHFFFAOYSA-N
XLogP3.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 9080074
1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone
CID 54841440
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-piperidin-1-ylanilino)ethanone
CID 109007340
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840833
N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydroindole-1-carboximidamide
CID 110984418
2-(3,4-dichloroanilino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 9098782
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838496
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(morpholine-4-carbonyl)anilino]ethanone
CID 54836679
1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone
CID 54822552
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]ethanone
CID 54843456
3-[4-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845787
2-(4-methylanilino)-N-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]acetamide
CID 19608007

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone (CID 54835226) is 2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone is O=C(c1ccc(NCC(=O)N2CCc3ccccc32)cc1)N1CCCCCC1.
What is the InChIKey of 2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is USEXPPCZXKMSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22(26-16-13-18-7-3-4-8-21(18)26)17-24-20-11-9-19(10-12-20)23(28)25-14-5-1-2-6-15-25/h3-4,7-12,24H,1-2,5-6,13-17H2.
What are the key properties of 2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone?
2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 377.49 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepane-1-carbonyl)anilino]-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 54835226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).