3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide

C14H22N2O2 — CID 109018473

IUPAC3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCN1CCCCCC1)NCc1ccco1
InChIInChI=1S/C14H22N2O2/c17-14(15-12-13-6-5-11-18-13)7-10-16-8-3-1-2-4-9-16/h5-6,11H,1-4,7-10,12H2,(H,15,17)
InChIKeyUVKSAJICBSUZDT-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.16
Rot. Bonds5

About 3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide

3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide (PubChem CID 109018473) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
PubChem CID109018473
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCN1CCCCCC1)NCc1ccco1
InChIInChI=1S/C14H22N2O2/c17-14(15-12-13-6-5-11-18-13)7-10-16-8-3-1-2-4-9-16/h5-6,11H,1-4,7-10,12H2,(H,15,17)
InChIKeyUVKSAJICBSUZDT-UHFFFAOYSA-N
XLogP2.16
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280
N-(furan-2-ylmethyl)-4-oxo-4-piperidin-1-ylbutanamide
CID 865161
3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide
CID 108945088
N-(furan-2-ylmethyl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 109018456
3-(furan-2-ylmethylamino)-N-[3-(3-piperidin-1-ylpropanoylamino)phenyl]propanamide
CID 123393062
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 9102139
N-(furan-2-ylmethyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299780
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 51094831
3-[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 95120065
2-(1,4-diazepan-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 43162513
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]propanamide
CID 24550982

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide (CID 109018473) is 3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide is O=C(CCN1CCCCCC1)NCc1ccco1.
What is the InChIKey of 3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is UVKSAJICBSUZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c17-14(15-12-13-6-5-11-18-13)7-10-16-8-3-1-2-4-9-16/h5-6,11H,1-4,7-10,12H2,(H,15,17).
What are the key properties of 3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide?
3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 250.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 109018473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).