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

C20H28N2O2 — CID 53110577

IUPACN-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C2(C(=O)N3CCCCCC3)CCC2)cc1
InChIInChI=1S/C20H28N2O2/c1-2-18(23)21-17-10-8-16(9-11-17)20(12-7-13-20)19(24)22-14-5-3-4-6-15-22/h8-11H,2-7,12-15H2,1H3,(H,21,23)
InChIKeyBCYFWSKWYLGGLF-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.86
Rot. Bonds4

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

N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]propanamide (PubChem CID 53110577) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]propanamide
PubChem CID53110577
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C2(C(=O)N3CCCCCC3)CCC2)cc1
InChIInChI=1S/C20H28N2O2/c1-2-18(23)21-17-10-8-16(9-11-17)20(12-7-13-20)19(24)22-14-5-3-4-6-15-22/h8-11H,2-7,12-15H2,1H3,(H,21,23)
InChIKeyBCYFWSKWYLGGLF-UHFFFAOYSA-N
XLogP3.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]acetamide
CID 53110570
N-[4-[1-(4-propylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide
CID 53110369
[1-(4-methylphenyl)cyclobutyl]-piperidin-1-ylmethanone
CID 146883856
N-[4-[1-(4-butylpiperazine-1-carbonyl)cyclohexyl]phenyl]acetamide
CID 53110395
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
N-cyclopropyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821667
[1-(4-bromophenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 60715919
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
2-methyl-N-[4-[1-(4-phenylpiperazine-1-carbonyl)cyclohexyl]phenyl]propanamide
CID 53110438
N-benzyl-1-[4-(propanoylamino)phenyl]cyclopropane-1-carboxamide
CID 50821432

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]propanamide?
The IUPAC name of N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]propanamide (CID 53110577) is N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]propanamide?
The canonical SMILES for N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]propanamide is CCC(=O)Nc1ccc(C2(C(=O)N3CCCCCC3)CCC2)cc1.
What is the InChIKey of N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]propanamide?
The InChIKey is BCYFWSKWYLGGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-2-18(23)21-17-10-8-16(9-11-17)20(12-7-13-20)19(24)22-14-5-3-4-6-15-22/h8-11H,2-7,12-15H2,1H3,(H,21,23).
What are the key properties of N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]propanamide?
N-[4-[1-(azepane-1-carbonyl)cyclobutyl]phenyl]propanamide has a molecular weight of 328.46 g/mol, XLogP of 3.86, 4 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]propanamide is sourced from PubChem (CID 53110577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).