N-(2,3-dimethylphenyl)-4-(furan-2-yl)-4-oxobutanamide

C16H17NO3 — CID 110389902

IUPACN-(2,3-dimethylphenyl)-4-(furan-2-yl)-4-oxobutanamide
SMILESCc1cccc(NC(=O)CCC(=O)c2ccco2)c1C
InChIInChI=1S/C16H17NO3/c1-11-5-3-6-13(12(11)2)17-16(19)9-8-14(18)15-7-4-10-20-15/h3-7,10H,8-9H2,1-2H3,(H,17,19)
InChIKeyJMWJHUCFFZRZTI-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.50
Rot. Bonds5

About N-(2,3-dimethylphenyl)-4-(furan-2-yl)-4-oxobutanamide

N-(2,3-dimethylphenyl)-4-(furan-2-yl)-4-oxobutanamide (PubChem CID 110389902) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-(furan-2-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-(furan-2-yl)-4-oxobutanamide
PubChem CID110389902
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC NameN-(2,3-dimethylphenyl)-4-(furan-2-yl)-4-oxobutanamide
SMILESCc1cccc(NC(=O)CCC(=O)c2ccco2)c1C
InChIInChI=1S/C16H17NO3/c1-11-5-3-6-13(12(11)2)17-16(19)9-8-14(18)15-7-4-10-20-15/h3-7,10H,8-9H2,1-2H3,(H,17,19)
InChIKeyJMWJHUCFFZRZTI-UHFFFAOYSA-N
XLogP3.50
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dimethylphenyl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propanamide
CID 109030173
N-(2,3-dimethylphenyl)-4-oxopentanamide
CID 60636238
N-(2,3-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide
CID 4164018
N-[3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843320
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 28713065
4-(5-chlorothiophen-2-yl)-N-(2,3-dimethylphenyl)-4-oxobutanamide
CID 26538534
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
N-(2,3-dimethylphenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 19221393
N-[3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 27859658
3-(2,6-dimethylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 109035849
N-(2,3-dimethylphenyl)dodecanamide
CID 4198682

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-(furan-2-yl)-4-oxobutanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-(furan-2-yl)-4-oxobutanamide (CID 110389902) is N-(2,3-dimethylphenyl)-4-(furan-2-yl)-4-oxobutanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-(furan-2-yl)-4-oxobutanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-(furan-2-yl)-4-oxobutanamide is Cc1cccc(NC(=O)CCC(=O)c2ccco2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-(furan-2-yl)-4-oxobutanamide?
The InChIKey is JMWJHUCFFZRZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-5-3-6-13(12(11)2)17-16(19)9-8-14(18)15-7-4-10-20-15/h3-7,10H,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-(2,3-dimethylphenyl)-4-(furan-2-yl)-4-oxobutanamide?
N-(2,3-dimethylphenyl)-4-(furan-2-yl)-4-oxobutanamide has a molecular weight of 271.32 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-(furan-2-yl)-4-oxobutanamide is sourced from PubChem (CID 110389902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).