N-benzyl-3-(2,5-dimethoxyanilino)-N-phenylpropanamide

C24H26N2O3 — CID 109040385

IUPACN-benzyl-3-(2,5-dimethoxyanilino)-N-phenylpropanamide
SMILESCOc1ccc(OC)c(NCCC(=O)N(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H26N2O3/c1-28-21-13-14-23(29-2)22(17-21)25-16-15-24(27)26(20-11-7-4-8-12-20)18-19-9-5-3-6-10-19/h3-14,17,25H,15-16,18H2,1-2H3
InChIKeyVWSQLYRHLMQTRP-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.74
Rot. Bonds9

About N-benzyl-3-(2,5-dimethoxyanilino)-N-phenylpropanamide

N-benzyl-3-(2,5-dimethoxyanilino)-N-phenylpropanamide (PubChem CID 109040385) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-benzyl-3-(2,5-dimethoxyanilino)-N-phenylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-(2,5-dimethoxyanilino)-N-phenylpropanamide
PubChem CID109040385
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC NameN-benzyl-3-(2,5-dimethoxyanilino)-N-phenylpropanamide
SMILESCOc1ccc(OC)c(NCCC(=O)N(Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H26N2O3/c1-28-21-13-14-23(29-2)22(17-21)25-16-15-24(27)26(20-11-7-4-8-12-20)18-19-9-5-3-6-10-19/h3-14,17,25H,15-16,18H2,1-2H3
InChIKeyVWSQLYRHLMQTRP-UHFFFAOYSA-N
XLogP4.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-(2,4-dimethoxyanilino)-N-ethylpropanamide
CID 109022967
N-benzyl-3-(5-chloro-2-methoxyanilino)-N-propan-2-ylpropanamide
CID 109031714
3-(2,5-dimethoxyanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 109019183
N-benzyl-N-(4-methoxyphenyl)hexanamide
CID 60594646
3-(2,5-dimethoxyanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 109022353
tert-butyl N-benzyl-N-(2,5-dimethoxyphenyl)carbamate
CID 10472618
N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806144
N-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630749
N-(2,6-diethylphenyl)-3-(2,5-dimethoxyanilino)propanamide
CID 109037085
2,5-dimethoxy-N-(3-methylbut-3-enyl)aniline
CID 114471918
N-[2-(N-benzylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 113000349
N-(2,5-dimethoxyphenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953194

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2,5-dimethoxyanilino)-N-phenylpropanamide?
The IUPAC name of N-benzyl-3-(2,5-dimethoxyanilino)-N-phenylpropanamide (CID 109040385) is N-benzyl-3-(2,5-dimethoxyanilino)-N-phenylpropanamide.
What is the SMILES notation for N-benzyl-3-(2,5-dimethoxyanilino)-N-phenylpropanamide?
The canonical SMILES for N-benzyl-3-(2,5-dimethoxyanilino)-N-phenylpropanamide is COc1ccc(OC)c(NCCC(=O)N(Cc2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-benzyl-3-(2,5-dimethoxyanilino)-N-phenylpropanamide?
The InChIKey is VWSQLYRHLMQTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-28-21-13-14-23(29-2)22(17-21)25-16-15-24(27)26(20-11-7-4-8-12-20)18-19-9-5-3-6-10-19/h3-14,17,25H,15-16,18H2,1-2H3.
What are the key properties of N-benzyl-3-(2,5-dimethoxyanilino)-N-phenylpropanamide?
N-benzyl-3-(2,5-dimethoxyanilino)-N-phenylpropanamide has a molecular weight of 390.48 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2,5-dimethoxyanilino)-N-phenylpropanamide is sourced from PubChem (CID 109040385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).