N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide

C19H22N2O2 — CID 38300101

IUPACN-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1C
InChIInChI=1S/C19H22N2O2/c1-3-18(22)20-16-10-7-11-17(14(16)2)21-19(23)13-12-15-8-5-4-6-9-15/h4-11H,3,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFIUPEIKIULFUPU-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.91
Rot. Bonds6

About N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide

N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide (PubChem CID 38300101) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide
PubChem CID38300101
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1C
InChIInChI=1S/C19H22N2O2/c1-3-18(22)20-16-10-7-11-17(14(16)2)21-19(23)13-12-15-8-5-4-6-9-15/h4-11H,3,12-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFIUPEIKIULFUPU-UHFFFAOYSA-N
XLogP3.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839402
3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide
CID 1010239
N-[2-methyl-3-(propanoylamino)phenyl]benzamide
CID 38300041
N-(3-amino-2-methylphenyl)-4-phenylbutanamide
CID 28939602
N-[2-methyl-3-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54823941
N-[2-(2,2-dimethylpropyl)phenyl]-3-phenylpropanamide
CID 59836533
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126
N-[2-methyl-3-[(2-phenoxyacetyl)amino]phenyl]propanamide
CID 38300689
N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837505
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 28713065
N-(2,3-dimethylphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 126236704
2-chloro-6-(3-phenylpropanoylamino)benzoic acid
CID 63723256

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide (CID 38300101) is N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide is CCC(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1C.
What is the InChIKey of N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide?
The InChIKey is FIUPEIKIULFUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-18(22)20-16-10-7-11-17(14(16)2)21-19(23)13-12-15-8-5-4-6-9-15/h4-11H,3,12-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide?
N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide has a molecular weight of 310.40 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide is sourced from PubChem (CID 38300101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).