N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]acetamide

C19H26N2O2 — CID 53110570

IUPACN-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2(C(=O)N3CCCCCC3)CCC2)cc1
InChIInChI=1S/C19H26N2O2/c1-15(22)20-17-9-7-16(8-10-17)19(11-6-12-19)18(23)21-13-4-2-3-5-14-21/h7-10H,2-6,11-14H2,1H3,(H,20,22)
InChIKeyBIKIJNKQDYDYCF-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.47
Rot. Bonds3

About N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]acetamide

N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]acetamide (PubChem CID 53110570) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]acetamide
PubChem CID53110570
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2(C(=O)N3CCCCCC3)CCC2)cc1
InChIInChI=1S/C19H26N2O2/c1-15(22)20-17-9-7-16(8-10-17)19(11-6-12-19)18(23)21-13-4-2-3-5-14-21/h7-10H,2-6,11-14H2,1H3,(H,20,22)
InChIKeyBIKIJNKQDYDYCF-UHFFFAOYSA-N
XLogP3.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]propanamide
CID 53110577
[1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone
CID 146883856
N-[4-[1-(4-butylpiperazine-1-carbonyl)cyclohexyl]phenyl]acetamide
CID 53110395
[1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 60715919
1-(4-acetamidophenyl)-N-cyclopentylcyclobutane-1-carboxamide
CID 53110546
1-[1-(4-methylphenyl)cyclobutanecarbonyl]-N-phenylpiperidine-3-carboxamide
CID 142125162
azepan-1-yl-[1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidin-4-yl]methanone
CID 55554449
1-(4-acetamidophenyl)-N-[(2R)-butan-2-yl]cyclohexane-1-carboxamide
CID 95086493
N-[4-[1-(4-propylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide
CID 53110369
2-methyl-N-[4-[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide
CID 53110438
1-(4-acetamidophenyl)-N-cycloheptylcyclohexane-1-carboxamide
CID 53110342
N-(4-acetamidophenyl)-3-(azepan-1-yl)-3-oxopropanamide
CID 108952717

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]acetamide?
The IUPAC name of N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]acetamide (CID 53110570) is N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]acetamide is CC(=O)Nc1ccc(C2(C(=O)N3CCCCCC3)CCC2)cc1.
What is the InChIKey of N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]acetamide?
The InChIKey is BIKIJNKQDYDYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-15(22)20-17-9-7-16(8-10-17)19(11-6-12-19)18(23)21-13-4-2-3-5-14-21/h7-10H,2-6,11-14H2,1H3,(H,20,22).
What are the key properties of N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]acetamide?
N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]acetamide has a molecular weight of 314.43 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]acetamide is sourced from PubChem (CID 53110570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).