N-cyclobutyl-N-[1-[3-(furan-3-yl)propanoyl]azepan-4-yl]acetamide

C19H28N2O3 — CID 128966915

IUPACN-cyclobutyl-N-[1-[3-(furan-3-yl)propanoyl]azepan-4-yl]acetamide
SMILESCC(=O)N(C1CCC1)C1CCCN(C(=O)CCc2ccoc2)CC1
InChIInChI=1S/C19H28N2O3/c1-15(22)21(17-4-2-5-17)18-6-3-11-20(12-9-18)19(23)8-7-16-10-13-24-14-16/h10,13-14,17-18H,2-9,11-12H2,1H3
InChIKeyKQEBAZCWFHCQRR-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.99
Rot. Bonds5

About N-cyclobutyl-N-[1-[3-(furan-3-yl)propanoyl]azepan-4-yl]acetamide

N-cyclobutyl-N-[1-[3-(furan-3-yl)propanoyl]azepan-4-yl]acetamide (PubChem CID 128966915) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-cyclobutyl-N-[1-[3-(furan-3-yl)propanoyl]azepan-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclobutyl-N-[1-[3-(furan-3-yl)propanoyl]azepan-4-yl]acetamide
PubChem CID128966915
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-cyclobutyl-N-[1-[3-(furan-3-yl)propanoyl]azepan-4-yl]acetamide
SMILESCC(=O)N(C1CCC1)C1CCCN(C(=O)CCc2ccoc2)CC1
InChIInChI=1S/C19H28N2O3/c1-15(22)21(17-4-2-5-17)18-6-3-11-20(12-9-18)19(23)8-7-16-10-13-24-14-16/h10,13-14,17-18H,2-9,11-12H2,1H3
InChIKeyKQEBAZCWFHCQRR-UHFFFAOYSA-N
XLogP2.99
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-aminopyrimidin-2-yl)methyl-methylamino]azepan-1-yl]-3-(furan-3-yl)propan-1-one
CID 167806967
N-cyclobutyl-N-[1-(4,4,4-trifluorobutanoyl)azepan-4-yl]acetamide
CID 128996332
2-[(2S)-1-[3-(furan-3-yl)propanoyl]pyrrolidin-2-yl]acetic acid
CID 129468857
2-[acetyl-[(4R)-1-(4-phenylbutanoyl)azepan-4-yl]amino]acetic acid
CID 129330177
4-[3-[4-[acetyl(methyl)amino]piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119182756
1-[(4S)-4-(dimethylamino)azepan-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95726421
1-cyclopropyl-3-(furan-3-yl)propan-1-one
CID 64504771
N-[(4R)-1-[3-(5-methylfuran-2-yl)propanoyl]azepan-4-yl]-N-(pyrimidin-5-ylmethyl)acetamide
CID 129337128
1-[4-(dimethylamino)piperidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 110483853
2-[[(4R)-1-[3-(3-bromophenyl)propanoyl]azepan-4-yl]-methylamino]acetic acid
CID 129399152
3-(furan-3-yl)-1-(2-phenacylpyrrolidin-1-yl)propan-1-one
CID 136513747
2-[acetyl-[(4S)-1-(4-thiophen-2-ylbutanoyl)azepan-4-yl]amino]acetic acid
CID 129468894

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-[1-[3-(furan-3-yl)propanoyl]azepan-4-yl]acetamide?
The IUPAC name of N-cyclobutyl-N-[1-[3-(furan-3-yl)propanoyl]azepan-4-yl]acetamide (CID 128966915) is N-cyclobutyl-N-[1-[3-(furan-3-yl)propanoyl]azepan-4-yl]acetamide.
What is the SMILES notation for N-cyclobutyl-N-[1-[3-(furan-3-yl)propanoyl]azepan-4-yl]acetamide?
The canonical SMILES for N-cyclobutyl-N-[1-[3-(furan-3-yl)propanoyl]azepan-4-yl]acetamide is CC(=O)N(C1CCC1)C1CCCN(C(=O)CCc2ccoc2)CC1.
What is the InChIKey of N-cyclobutyl-N-[1-[3-(furan-3-yl)propanoyl]azepan-4-yl]acetamide?
The InChIKey is KQEBAZCWFHCQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-15(22)21(17-4-2-5-17)18-6-3-11-20(12-9-18)19(23)8-7-16-10-13-24-14-16/h10,13-14,17-18H,2-9,11-12H2,1H3.
What are the key properties of N-cyclobutyl-N-[1-[3-(furan-3-yl)propanoyl]azepan-4-yl]acetamide?
N-cyclobutyl-N-[1-[3-(furan-3-yl)propanoyl]azepan-4-yl]acetamide has a molecular weight of 332.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-[1-[3-(furan-3-yl)propanoyl]azepan-4-yl]acetamide is sourced from PubChem (CID 128966915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).