N-[2-(furan-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide

C15H22N2O3 — CID 131926036

IUPACN-[2-(furan-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
SMILESO=C(CCN1CCCCCC1=O)NCCc1ccco1
InChIInChI=1S/C15H22N2O3/c18-14(16-9-7-13-5-4-12-20-13)8-11-17-10-3-1-2-6-15(17)19/h4-5,12H,1-3,6-11H2,(H,16,18)
InChIKeyCZOPVCJVIZAJOB-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.73
Rot. Bonds6

About N-[2-(furan-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide

N-[2-(furan-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide (PubChem CID 131926036) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
PubChem CID131926036
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-(furan-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
SMILESO=C(CCN1CCCCCC1=O)NCCc1ccco1
InChIInChI=1S/C15H22N2O3/c18-14(16-9-7-13-5-4-12-20-13)8-11-17-10-3-1-2-6-15(17)19/h4-5,12H,1-3,6-11H2,(H,16,18)
InChIKeyCZOPVCJVIZAJOB-UHFFFAOYSA-N
XLogP1.73
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[3-(2-oxoazepan-1-yl)propyl]guanidine
CID 111751245
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(2-oxoazepan-1-yl)propyl]guanidine
CID 111347622
1-[2-(furan-2-yl)ethyl]-3-[3-(2-oxoazepan-1-yl)propyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111347776
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 111482780
1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-[3-(2-oxoazepan-1-yl)propyl]guanidine;hydroiodide
CID 111348543
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 91796913
1-[2-(furan-2-yl)ethyl]-3-[3-(2-oxoazepan-1-yl)propyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111650903
1-butyl-3-[2-(furan-2-yl)ethyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111146829
4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide
CID 139517074
4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanoic acid
CID 139516844
1-butyl-3-[2-(furan-2-yl)ethyl]-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111146828
3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide (CID 131926036) is N-[2-(furan-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide is O=C(CCN1CCCCCC1=O)NCCc1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide?
The InChIKey is CZOPVCJVIZAJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-14(16-9-7-13-5-4-12-20-13)8-11-17-10-3-1-2-6-15(17)19/h4-5,12H,1-3,6-11H2,(H,16,18).
What are the key properties of N-[2-(furan-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide?
N-[2-(furan-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide has a molecular weight of 278.35 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide is sourced from PubChem (CID 131926036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).