N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide

C12H17NO3 — CID 61251024

IUPACN-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NC(C)CCc1ccco1
InChIInChI=1S/C12H17NO3/c1-9(13-12(15)8-10(2)14)5-6-11-4-3-7-16-11/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,15)
InChIKeyIZLMYTWYLQKQFL-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.70
Rot. Bonds6

About N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide

N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide (PubChem CID 61251024) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
PubChem CID61251024
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NC(C)CCc1ccco1
InChIInChI=1S/C12H17NO3/c1-9(13-12(15)8-10(2)14)5-6-11-4-3-7-16-11/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,15)
InChIKeyIZLMYTWYLQKQFL-UHFFFAOYSA-N
XLogP1.70
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.70
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-[4-(furan-2-yl)butan-2-yl]-2-(methylamino)acetamide
CID 61249906
N-[(2R)-4-(furan-2-yl)butan-2-yl]-3-methylbutanamide
CID 94153264
5-amino-N-[4-(furan-2-yl)butan-2-yl]-4-methylpentanamide
CID 82012267
N-[4-(furan-2-yl)butan-2-yl]-4-(propan-2-ylamino)butanamide
CID 61249924
(Z)-4-[4-(furan-2-yl)butan-2-ylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55169449
1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571916
N-ethyl-2-[4-(furan-2-yl)butan-2-ylamino]acetamide
CID 43401748
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451
1-tert-butyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571913
2-(2,6-dimethylphenoxy)-N-[4-(furan-2-yl)butan-2-yl]acetamide
CID 18162432
tert-butyl 4-[4-(furan-2-yl)butan-2-ylamino]-4-oxobutanoate
CID 106707217
2-(4-acetamidophenyl)sulfanyl-N-[(2S)-4-(furan-2-yl)butan-2-yl]acetamide
CID 25401477

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide (CID 61251024) is N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide is CC(=O)CC(=O)NC(C)CCc1ccco1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide?
The InChIKey is IZLMYTWYLQKQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(13-12(15)8-10(2)14)5-6-11-4-3-7-16-11/h3-4,7,9H,5-6,8H2,1-2H3,(H,13,15).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide?
N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide has a molecular weight of 223.27 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-3-oxobutanamide is sourced from PubChem (CID 61251024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).