1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide

C16H22N2O3 — CID 108974620

IUPAC1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccco1)C1(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C16H22N2O3/c19-14(17-12-13-6-5-11-21-13)16(7-8-16)15(20)18-9-3-1-2-4-10-18/h5-6,11H,1-4,7-10,12H2,(H,17,19)
InChIKeyVRJISZIFLQEPEW-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.08
Rot. Bonds4

About 1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide

1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 108974620) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID108974620
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccco1)C1(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C16H22N2O3/c19-14(17-12-13-6-5-11-21-13)16(7-8-16)15(20)18-9-3-1-2-4-10-18/h5-6,11H,1-4,7-10,12H2,(H,17,19)
InChIKeyVRJISZIFLQEPEW-UHFFFAOYSA-N
XLogP2.08
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974601
1-(4-benzylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974583
N-benzyl-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971956
1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62097630
N-(furan-2-ylmethyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108974595
N-(furan-2-ylmethyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108974600
3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide
CID 108945088
1-(azepane-1-carbonyl)-N-[(4-chlorophenyl)methyl]cyclopropane-1-carboxamide
CID 108976074
N-(furan-2-ylmethyl)-4-oxo-4-piperidin-1-ylbutanamide
CID 865161
N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-2-sulfanylideneacetamide
CID 2975846
1-N'-(2,6-dichlorophenyl)-1-N-(furan-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108974715
N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958739

Frequently Asked Questions

What is the IUPAC name of 1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide (CID 108974620) is 1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide is O=C(NCc1ccco1)C1(C(=O)N2CCCCCC2)CC1.
What is the InChIKey of 1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is VRJISZIFLQEPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-14(17-12-13-6-5-11-21-13)16(7-8-16)15(20)18-9-3-1-2-4-10-18/h5-6,11H,1-4,7-10,12H2,(H,17,19).
What are the key properties of 1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide?
1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108974620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).