N-[3-(2-methylpropanoylamino)phenyl]butanamide

C14H20N2O2 — CID 17189167

IUPACN-[3-(2-methylpropanoylamino)phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-4-6-13(17)15-11-7-5-8-12(9-11)16-14(18)10(2)3/h5,7-10H,4,6H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyKWVXCUQNZCLJRF-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.02
Rot. Bonds5

About N-[3-(2-methylpropanoylamino)phenyl]butanamide

N-[3-(2-methylpropanoylamino)phenyl]butanamide (PubChem CID 17189167) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[3-(2-methylpropanoylamino)phenyl]butanamide.

Molecular Properties

Compound NameN-[3-(2-methylpropanoylamino)phenyl]butanamide
PubChem CID17189167
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[3-(2-methylpropanoylamino)phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C14H20N2O2/c1-4-6-13(17)15-11-7-5-8-12(9-11)16-14(18)10(2)3/h5,7-10H,4,6H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyKWVXCUQNZCLJRF-UHFFFAOYSA-N
XLogP3.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide
CID 17189285
methyl 4-[3-(2-methylpropanoylamino)anilino]-4-oxobutanoate
CID 17189183
5-amino-N-[3-(2-methylpropanoylamino)phenyl]hexanamide
CID 82850255
2-ethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 21430939
3,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 39130919
N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795540
N-[3-(butanoylamino)phenyl]-4-chlorobutanamide
CID 17187674
2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54831495
N-[3-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43699994
N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]-2-methylpropanamide
CID 60851547
N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54813263
N-(3-butan-2-yloxyphenyl)butanamide
CID 61394703

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropanoylamino)phenyl]butanamide?
The IUPAC name of N-[3-(2-methylpropanoylamino)phenyl]butanamide (CID 17189167) is N-[3-(2-methylpropanoylamino)phenyl]butanamide.
What is the SMILES notation for N-[3-(2-methylpropanoylamino)phenyl]butanamide?
The canonical SMILES for N-[3-(2-methylpropanoylamino)phenyl]butanamide is CCCC(=O)Nc1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of N-[3-(2-methylpropanoylamino)phenyl]butanamide?
The InChIKey is KWVXCUQNZCLJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-6-13(17)15-11-7-5-8-12(9-11)16-14(18)10(2)3/h5,7-10H,4,6H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N-[3-(2-methylpropanoylamino)phenyl]butanamide?
N-[3-(2-methylpropanoylamino)phenyl]butanamide has a molecular weight of 248.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropanoylamino)phenyl]butanamide is sourced from PubChem (CID 17189167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).