2-[3-(azepane-1-carbonyl)anilino]-N,N-dipropylacetamide

C21H33N3O2 — CID 54841399

IUPAC2-[3-(azepane-1-carbonyl)anilino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CNc1cccc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C21H33N3O2/c1-3-12-23(13-4-2)20(25)17-22-19-11-9-10-18(16-19)21(26)24-14-7-5-6-8-15-24/h9-11,16,22H,3-8,12-15,17H2,1-2H3
InChIKeyIKBRMTJJLQZWLW-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.76
Rot. Bonds8

About 2-[3-(azepane-1-carbonyl)anilino]-N,N-dipropylacetamide

2-[3-(azepane-1-carbonyl)anilino]-N,N-dipropylacetamide (PubChem CID 54841399) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 2-[3-(azepane-1-carbonyl)anilino]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[3-(azepane-1-carbonyl)anilino]-N,N-dipropylacetamide
PubChem CID54841399
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name2-[3-(azepane-1-carbonyl)anilino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CNc1cccc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C21H33N3O2/c1-3-12-23(13-4-2)20(25)17-22-19-11-9-10-18(16-19)21(26)24-14-7-5-6-8-15-24/h9-11,16,22H,3-8,12-15,17H2,1-2H3
InChIKeyIKBRMTJJLQZWLW-UHFFFAOYSA-N
XLogP3.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(piperidine-1-carbonyl)anilino]-N,N-dipropylacetamide
CID 54843676
N-benzyl-N-methyl-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843335
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152
2-[3-(azepane-1-carbonyl)anilino]-N-hexadecylacetamide
CID 54841517
N-butan-2-yl-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841093
N,N-diethyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843436
2-[3-(azepane-1-carbonyl)anilino]-N-(2,6-dimethylphenyl)acetamide
CID 54841489
N-[4-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841208
1-(4-methylpiperidin-1-yl)-2-[3-(piperidine-1-carbonyl)anilino]ethanone
CID 54843401
N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
2-[4-(azepane-1-carbonyl)anilino]-N,N-diethylacetamide
CID 54835140
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]hexanamide
CID 54841375

Frequently Asked Questions

What is the IUPAC name of 2-[3-(azepane-1-carbonyl)anilino]-N,N-dipropylacetamide?
The IUPAC name of 2-[3-(azepane-1-carbonyl)anilino]-N,N-dipropylacetamide (CID 54841399) is 2-[3-(azepane-1-carbonyl)anilino]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[3-(azepane-1-carbonyl)anilino]-N,N-dipropylacetamide?
The canonical SMILES for 2-[3-(azepane-1-carbonyl)anilino]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CNc1cccc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of 2-[3-(azepane-1-carbonyl)anilino]-N,N-dipropylacetamide?
The InChIKey is IKBRMTJJLQZWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-3-12-23(13-4-2)20(25)17-22-19-11-9-10-18(16-19)21(26)24-14-7-5-6-8-15-24/h9-11,16,22H,3-8,12-15,17H2,1-2H3.
What are the key properties of 2-[3-(azepane-1-carbonyl)anilino]-N,N-dipropylacetamide?
2-[3-(azepane-1-carbonyl)anilino]-N,N-dipropylacetamide has a molecular weight of 359.51 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(azepane-1-carbonyl)anilino]-N,N-dipropylacetamide is sourced from PubChem (CID 54841399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).