N-benzhydryl-3-(3,5-dimethoxyphenyl)-N-methylpropanamide

C25H27NO3 — CID 46546176

IUPACN-benzhydryl-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
SMILESCOc1cc(CCC(=O)N(C)C(c2ccccc2)c2ccccc2)cc(OC)c1
InChIInChI=1S/C25H27NO3/c1-26(24(27)15-14-19-16-22(28-2)18-23(17-19)29-3)25(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,16-18,25H,14-15H2,1-3H3
InChIKeyWQZIROONMWMVNA-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.88
Rot. Bonds8

About N-benzhydryl-3-(3,5-dimethoxyphenyl)-N-methylpropanamide

N-benzhydryl-3-(3,5-dimethoxyphenyl)-N-methylpropanamide (PubChem CID 46546176) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-benzhydryl-3-(3,5-dimethoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-benzhydryl-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
PubChem CID46546176
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC NameN-benzhydryl-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
SMILESCOc1cc(CCC(=O)N(C)C(c2ccccc2)c2ccccc2)cc(OC)c1
InChIInChI=1S/C25H27NO3/c1-26(24(27)15-14-19-16-22(28-2)18-23(17-19)29-3)25(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,16-18,25H,14-15H2,1-3H3
InChIKeyWQZIROONMWMVNA-UHFFFAOYSA-N
XLogP4.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)-phenylmethyl]-N-methyl-3-phenylpropanamide
CID 42935777
2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119113378
(2R)-2-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119367695
3-(3,5-dimethoxyphenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 42919947
3-[3-(3,5-dimethoxyphenyl)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218913
N-(3-aminopropyl)-N-benzyl-3-(3,5-dimethoxyphenyl)propanamide
CID 120648289
N-methyl-3-naphthalen-2-yl-N-(1-phenylethyl)propanamide
CID 60521214
N-(3-amino-4-methylpentyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
CID 119658416
2-[3-(3,5-dimethoxyphenyl)propanoyl-(2-methoxyethyl)amino]acetic acid
CID 119189335
N-benzhydryl-N-methyl-2-(4-phenylphenyl)acetamide
CID 2103734
N-benzhydryl-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 8918889
N-benzhydryl-N-methyl-2-(3-methylphenoxy)acetamide
CID 8919009

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-(3,5-dimethoxyphenyl)-N-methylpropanamide?
The IUPAC name of N-benzhydryl-3-(3,5-dimethoxyphenyl)-N-methylpropanamide (CID 46546176) is N-benzhydryl-3-(3,5-dimethoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-benzhydryl-3-(3,5-dimethoxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-benzhydryl-3-(3,5-dimethoxyphenyl)-N-methylpropanamide is COc1cc(CCC(=O)N(C)C(c2ccccc2)c2ccccc2)cc(OC)c1.
What is the InChIKey of N-benzhydryl-3-(3,5-dimethoxyphenyl)-N-methylpropanamide?
The InChIKey is WQZIROONMWMVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-26(24(27)15-14-19-16-22(28-2)18-23(17-19)29-3)25(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,16-18,25H,14-15H2,1-3H3.
What are the key properties of N-benzhydryl-3-(3,5-dimethoxyphenyl)-N-methylpropanamide?
N-benzhydryl-3-(3,5-dimethoxyphenyl)-N-methylpropanamide has a molecular weight of 389.50 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-(3,5-dimethoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 46546176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).