N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide

C25H26N2O3 — CID 46045773

IUPACN-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide
SMILESCCC(=O)N(Cc1ccccc1)c1ccc(CC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C25H26N2O3/c1-3-25(29)27(18-20-7-5-4-6-8-20)22-13-9-19(10-14-22)17-24(28)26-21-11-15-23(30-2)16-12-21/h4-16H,3,17-18H2,1-2H3,(H,26,28)
InChIKeyUXHXUXOORVDNSU-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.82
Rot. Bonds8

About N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide

N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide (PubChem CID 46045773) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide.

Molecular Properties

Compound NameN-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide
PubChem CID46045773
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide
SMILESCCC(=O)N(Cc1ccccc1)c1ccc(CC(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C25H26N2O3/c1-3-25(29)27(18-20-7-5-4-6-8-20)22-13-9-19(10-14-22)17-24(28)26-21-11-15-23(30-2)16-12-21/h4-16H,3,17-18H2,1-2H3,(H,26,28)
InChIKeyUXHXUXOORVDNSU-UHFFFAOYSA-N
XLogP4.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46045989
N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide
CID 46045788
2-[4-(benzylamino)phenyl]-N-(4-methoxyphenyl)acetamide
CID 46045417
N-[(4-fluorophenyl)methyl]-N-[4-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]phenyl]propanamide
CID 42852861
2-amino-N-benzyl-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 119032182
N-benzyl-N-(4-methoxyphenyl)hexanamide
CID 60594646
N-[6-[benzyl(ethyl)amino]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113012596
N-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461
N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 42852784
N-(4-methoxyphenyl)-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide
CID 42852959
(E)-N-benzyl-N-[3-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 46056572
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide?
The IUPAC name of N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide (CID 46045773) is N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide.
What is the SMILES notation for N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide?
The canonical SMILES for N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide is CCC(=O)N(Cc1ccccc1)c1ccc(CC(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide?
The InChIKey is UXHXUXOORVDNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-3-25(29)27(18-20-7-5-4-6-8-20)22-13-9-19(10-14-22)17-24(28)26-21-11-15-23(30-2)16-12-21/h4-16H,3,17-18H2,1-2H3,(H,26,28).
What are the key properties of N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide?
N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide has a molecular weight of 402.49 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide is sourced from PubChem (CID 46045773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).