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

C14H20N2O3 — CID 108945088

IUPAC3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide
SMILESO=C(CC(=O)N1CCCCCC1)NCc1ccco1
InChIInChI=1S/C14H20N2O3/c17-13(15-11-12-6-5-9-19-12)10-14(18)16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10-11H2,(H,15,17)
InChIKeyFKABTWIBOHQEIF-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.69
Rot. Bonds4

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

3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide (PubChem CID 108945088) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide.

Molecular Properties

Compound Name3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide
PubChem CID108945088
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide
SMILESO=C(CC(=O)N1CCCCCC1)NCc1ccco1
InChIInChI=1S/C14H20N2O3/c17-13(15-11-12-6-5-9-19-12)10-14(18)16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10-11H2,(H,15,17)
InChIKeyFKABTWIBOHQEIF-UHFFFAOYSA-N
XLogP1.69
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.69
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

N-(furan-2-ylmethyl)-4-oxo-4-piperidin-1-ylbutanamide
CID 865161
1-(azepan-1-yl)-3-(furan-2-ylmethylamino)propan-1-one
CID 109018638
3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280
(3R)-N-(furan-2-ylmethyl)-3-hydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 70330321
N-(furan-2-ylmethyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108945089
N-(furan-2-ylmethyl)-2-pyrrolidin-1-yl-2-sulfanylideneacetamide
CID 2975846
N-(furan-2-ylmethyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958739
1-(azepane-1-carbonyl)-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
CID 108974620
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-(furan-2-ylmethyl)acetamide
CID 111035918
[2-(furan-2-ylmethylamino)-2-oxoethyl] N-phenylpiperidine-1-carboximidothioate
CID 9458136
N-(furan-2-ylmethyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044221

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide?
The IUPAC name of 3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide (CID 108945088) is 3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide.
What is the SMILES notation for 3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide?
The canonical SMILES for 3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide is O=C(CC(=O)N1CCCCCC1)NCc1ccco1.
What is the InChIKey of 3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide?
The InChIKey is FKABTWIBOHQEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-13(15-11-12-6-5-9-19-12)10-14(18)16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10-11H2,(H,15,17).
What are the key properties of 3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide?
3-(azepan-1-yl)-N-(furan-2-ylmethyl)-3-oxopropanamide has a molecular weight of 264.32 g/mol, XLogP of 1.69, 4 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)-3-oxopropanamide is sourced from PubChem (CID 108945088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).