N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide

C18H21N3O2 — CID 54814253

IUPACN-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CNc2ccc(C)cc2)c1
InChIInChI=1S/C18H21N3O2/c1-3-17(22)20-15-5-4-6-16(11-15)21-18(23)12-19-14-9-7-13(2)8-10-14/h4-11,19H,3,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyQSDSKOUZOMBMLZ-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.39
Rot. Bonds6

About N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide

N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide (PubChem CID 54814253) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide
PubChem CID54814253
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CNc2ccc(C)cc2)c1
InChIInChI=1S/C18H21N3O2/c1-3-17(22)20-15-5-4-6-16(11-15)21-18(23)12-19-14-9-7-13(2)8-10-14/h4-11,19H,3,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyQSDSKOUZOMBMLZ-UHFFFAOYSA-N
XLogP3.39
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(3,5-dimethylanilino)acetyl]amino]phenyl]propanamide
CID 54813237
N-[4-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835550
N-[3-[(4-methylphenyl)methylamino]phenyl]propanamide
CID 28661898
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833198
2-methyl-N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54831495
N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835583
N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide
CID 46568360
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814254
N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54831751
N-[3-[[2-(butan-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833021
N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837505
4-[[2-[3-(propanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54832994

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide (CID 54814253) is N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)CNc2ccc(C)cc2)c1.
What is the InChIKey of N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide?
The InChIKey is QSDSKOUZOMBMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-17(22)20-15-5-4-6-16(11-15)21-18(23)12-19-14-9-7-13(2)8-10-14/h4-11,19H,3,12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide?
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide has a molecular weight of 311.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54814253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).