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

C24H25N3O2 — CID 54814254

IUPACN-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide
SMILESCc1ccc(NCC(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)cc1
InChIInChI=1S/C24H25N3O2/c1-18-10-13-20(14-11-18)25-17-24(29)27-22-9-5-8-21(16-22)26-23(28)15-12-19-6-3-2-4-7-19/h2-11,13-14,16,25H,12,15,17H2,1H3,(H,26,28)(H,27,29)
InChIKeyAAESYGPQMJPYDI-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.62
Rot. Bonds8

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

N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide (PubChem CID 54814254) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide
PubChem CID54814254
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide
SMILESCc1ccc(NCC(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)cc1
InChIInChI=1S/C24H25N3O2/c1-18-10-13-20(14-11-18)25-17-24(29)27-22-9-5-8-21(16-22)26-23(28)15-12-19-6-3-2-4-7-19/h2-11,13-14,16,25H,12,15,17H2,1H3,(H,26,28)(H,27,29)
InChIKeyAAESYGPQMJPYDI-UHFFFAOYSA-N
XLogP4.62
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
CID 54810342
N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837505
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N-methyl-4-[[2-oxo-2-[3-(3-phenylpropanoylamino)anilino]ethyl]amino]-N-phenylbenzamide
CID 54838477
3-methyl-N-[4-[[2-[3-(3-phenylpropanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54837534
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]propanamide
CID 54814253
N-[3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837317
N-[3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54837342
N-[4-[[2-(3-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839942
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54815243
N-[3-[[2-oxo-2-[3-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837399

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide (CID 54814254) is N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide is Cc1ccc(NCC(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)cc1.
What is the InChIKey of N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide?
The InChIKey is AAESYGPQMJPYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-18-10-13-20(14-11-18)25-17-24(29)27-22-9-5-8-21(16-22)26-23(28)15-12-19-6-3-2-4-7-19/h2-11,13-14,16,25H,12,15,17H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide?
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide has a molecular weight of 387.48 g/mol, XLogP of 4.62, 8 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]-3-phenylpropanamide is sourced from PubChem (CID 54814254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).