N-butyl-4-(furan-2-yl)-4-oxobutanamide

C12H17NO3 — CID 110389809

IUPACN-butyl-4-(furan-2-yl)-4-oxobutanamide
SMILESCCCCNC(=O)CCC(=O)c1ccco1
InChIInChI=1S/C12H17NO3/c1-2-3-8-13-12(15)7-6-10(14)11-5-4-9-16-11/h4-5,9H,2-3,6-8H2,1H3,(H,13,15)
InChIKeyDCWYDEPSKCKZQR-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.16
Rot. Bonds7

About N-butyl-4-(furan-2-yl)-4-oxobutanamide

N-butyl-4-(furan-2-yl)-4-oxobutanamide (PubChem CID 110389809) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-butyl-4-(furan-2-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-butyl-4-(furan-2-yl)-4-oxobutanamide
PubChem CID110389809
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-butyl-4-(furan-2-yl)-4-oxobutanamide
SMILESCCCCNC(=O)CCC(=O)c1ccco1
InChIInChI=1S/C12H17NO3/c1-2-3-8-13-12(15)7-6-10(14)11-5-4-9-16-11/h4-5,9H,2-3,6-8H2,1H3,(H,13,15)
InChIKeyDCWYDEPSKCKZQR-UHFFFAOYSA-N
XLogP2.16
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511
1-(furan-2-yl)undecan-1-one
CID 15721327
N-[2-(4-fluorophenyl)ethyl]-4-(furan-2-yl)-4-oxobutanamide
CID 110389848
N-butyl-3-(furan-2-ylmethylamino)propanamide
CID 109012191
4-(furan-2-yl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide
CID 110389850
1-butyl-3-(furan-2-carbonylamino)urea
CID 4642065
3-(ethylamino)-1-(furan-2-yl)propan-1-one
CID 67303302
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-pentylpropanamide
CID 108950784
[3-(furan-2-yl)-3-oxopropanoyl] pentanoate
CID 142062801
N-butyl-4-(2-fluorophenyl)-4-oxobutanamide
CID 110406683
1-(furan-2-yl)-2-(propylamino)ethanone
CID 14188381

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(furan-2-yl)-4-oxobutanamide?
The IUPAC name of N-butyl-4-(furan-2-yl)-4-oxobutanamide (CID 110389809) is N-butyl-4-(furan-2-yl)-4-oxobutanamide.
What is the SMILES notation for N-butyl-4-(furan-2-yl)-4-oxobutanamide?
The canonical SMILES for N-butyl-4-(furan-2-yl)-4-oxobutanamide is CCCCNC(=O)CCC(=O)c1ccco1.
What is the InChIKey of N-butyl-4-(furan-2-yl)-4-oxobutanamide?
The InChIKey is DCWYDEPSKCKZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-3-8-13-12(15)7-6-10(14)11-5-4-9-16-11/h4-5,9H,2-3,6-8H2,1H3,(H,13,15).
What are the key properties of N-butyl-4-(furan-2-yl)-4-oxobutanamide?
N-butyl-4-(furan-2-yl)-4-oxobutanamide has a molecular weight of 223.27 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(furan-2-yl)-4-oxobutanamide is sourced from PubChem (CID 110389809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).