2-[2-(azepan-1-yl)anilino]-N-cyclopropylacetamide

C17H25N3O — CID 25349530

IUPAC2-[2-(azepan-1-yl)anilino]-N-cyclopropylacetamide
SMILESO=C(CNc1ccccc1N1CCCCCC1)NC1CC1
InChIInChI=1S/C17H25N3O/c21-17(19-14-9-10-14)13-18-15-7-3-4-8-16(15)20-11-5-1-2-6-12-20/h3-4,7-8,14,18H,1-2,5-6,9-13H2,(H,19,21)
InChIKeyOCRWOBNJGHIOMJ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.76
Rot. Bonds5

About 2-[2-(azepan-1-yl)anilino]-N-cyclopropylacetamide

2-[2-(azepan-1-yl)anilino]-N-cyclopropylacetamide (PubChem CID 25349530) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[2-(azepan-1-yl)anilino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[2-(azepan-1-yl)anilino]-N-cyclopropylacetamide
PubChem CID25349530
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[2-(azepan-1-yl)anilino]-N-cyclopropylacetamide
SMILESO=C(CNc1ccccc1N1CCCCCC1)NC1CC1
InChIInChI=1S/C17H25N3O/c21-17(19-14-9-10-14)13-18-15-7-3-4-8-16(15)20-11-5-1-2-6-12-20/h3-4,7-8,14,18H,1-2,5-6,9-13H2,(H,19,21)
InChIKeyOCRWOBNJGHIOMJ-UHFFFAOYSA-N
XLogP2.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-2-(2-piperidin-1-ylanilino)acetamide
CID 9324469
2-[2-(azepan-1-yl)anilino]-N-(tert-butylcarbamoyl)acetamide
CID 36588357
N-(1,1-dioxothiolan-3-yl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109001792
2-(cyclopentylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 43816730
2-(2-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9100126
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(2-piperidin-1-ylanilino)ethanone
CID 78826907
N-cycloheptyl-3-(2-morpholin-4-ylanilino)propanamide
CID 109031514
N-naphthalen-2-yl-2-(2-piperidin-1-ylanilino)acetamide
CID 9100114
N-[(4-fluorophenyl)methyl]-2-(2-piperidin-1-ylanilino)acetamide
CID 26438085
N-cyclohexyl-2-(2-iodoanilino)acetamide
CID 28878262
N-cyclopropyl-2-(naphthalen-1-ylamino)acetamide
CID 26506369
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azepan-1-yl)anilino]-N-cyclopropylacetamide?
The IUPAC name of 2-[2-(azepan-1-yl)anilino]-N-cyclopropylacetamide (CID 25349530) is 2-[2-(azepan-1-yl)anilino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[2-(azepan-1-yl)anilino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[2-(azepan-1-yl)anilino]-N-cyclopropylacetamide is O=C(CNc1ccccc1N1CCCCCC1)NC1CC1.
What is the InChIKey of 2-[2-(azepan-1-yl)anilino]-N-cyclopropylacetamide?
The InChIKey is OCRWOBNJGHIOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(19-14-9-10-14)13-18-15-7-3-4-8-16(15)20-11-5-1-2-6-12-20/h3-4,7-8,14,18H,1-2,5-6,9-13H2,(H,19,21).
What are the key properties of 2-[2-(azepan-1-yl)anilino]-N-cyclopropylacetamide?
2-[2-(azepan-1-yl)anilino]-N-cyclopropylacetamide has a molecular weight of 287.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azepan-1-yl)anilino]-N-cyclopropylacetamide is sourced from PubChem (CID 25349530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).