2-benzyl-N-(4-methoxyphenyl)-2,3-diphenylpropanamide

C29H27NO2 — CID 100782798

IUPAC2-benzyl-N-(4-methoxyphenyl)-2,3-diphenylpropanamide
SMILESCOc1ccc(NC(=O)C(Cc2ccccc2)(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H27NO2/c1-32-27-19-17-26(18-20-27)30-28(31)29(25-15-9-4-10-16-25,21-23-11-5-2-6-12-23)22-24-13-7-3-8-14-24/h2-20H,21-22H2,1H3,(H,30,31)
InChIKeyRZXGAHOVJQRYJC-UHFFFAOYSA-N
MW421.54 g/mol
LogP6.06
Rot. Bonds8

About 2-benzyl-N-(4-methoxyphenyl)-2,3-diphenylpropanamide

2-benzyl-N-(4-methoxyphenyl)-2,3-diphenylpropanamide (PubChem CID 100782798) has the molecular formula C29H27NO2 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-benzyl-N-(4-methoxyphenyl)-2,3-diphenylpropanamide.

Molecular Properties

Compound Name2-benzyl-N-(4-methoxyphenyl)-2,3-diphenylpropanamide
PubChem CID100782798
Molecular FormulaC29H27NO2
Molecular Weight421.54 g/mol
Exact Mass421.20
IUPAC Name2-benzyl-N-(4-methoxyphenyl)-2,3-diphenylpropanamide
SMILESCOc1ccc(NC(=O)C(Cc2ccccc2)(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H27NO2/c1-32-27-19-17-26(18-20-27)30-28(31)29(25-15-9-4-10-16-25,21-23-11-5-2-6-12-23)22-24-13-7-3-8-14-24/h2-20H,21-22H2,1H3,(H,30,31)
InChIKeyRZXGAHOVJQRYJC-UHFFFAOYSA-N
XLogP6.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-2,3-diphenyl-N-[4-(thietan-3-yloxy)phenyl]propanamide
CID 100782858
2-amino-N-(4-methoxyphenyl)-2-phenylpropanamide
CID 62487859
ethyl 3-(4-methoxyanilino)-3-oxo-2,2-diphenylpropanoate
CID 71516178
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
N-(4-methoxy-2-methylphenyl)-2,2,3-triphenylpropanamide
CID 100781820
2-hydroxy-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
CID 12559074
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
ethyl 2-benzyl-3-(4-chloroanilino)-3-oxo-2-phenylpropanoate
CID 71516313
2,2-difluoro-3-hydroxy-N-(4-methoxyphenyl)propanamide
CID 139665561
4-benzyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 121318821
3-chloro-N-(4-methoxyphenyl)-2-methyl-2-phenylsulfanylpropanamide
CID 71412597
2-[4-(benzylamino)phenyl]-N-(4-methoxyphenyl)acetamide
CID 46045417

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(4-methoxyphenyl)-2,3-diphenylpropanamide?
The IUPAC name of 2-benzyl-N-(4-methoxyphenyl)-2,3-diphenylpropanamide (CID 100782798) is 2-benzyl-N-(4-methoxyphenyl)-2,3-diphenylpropanamide.
What is the SMILES notation for 2-benzyl-N-(4-methoxyphenyl)-2,3-diphenylpropanamide?
The canonical SMILES for 2-benzyl-N-(4-methoxyphenyl)-2,3-diphenylpropanamide is COc1ccc(NC(=O)C(Cc2ccccc2)(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-benzyl-N-(4-methoxyphenyl)-2,3-diphenylpropanamide?
The InChIKey is RZXGAHOVJQRYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO2/c1-32-27-19-17-26(18-20-27)30-28(31)29(25-15-9-4-10-16-25,21-23-11-5-2-6-12-23)22-24-13-7-3-8-14-24/h2-20H,21-22H2,1H3,(H,30,31).
What are the key properties of 2-benzyl-N-(4-methoxyphenyl)-2,3-diphenylpropanamide?
2-benzyl-N-(4-methoxyphenyl)-2,3-diphenylpropanamide has a molecular weight of 421.54 g/mol, XLogP of 6.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(4-methoxyphenyl)-2,3-diphenylpropanamide is sourced from PubChem (CID 100782798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).