N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide

C18H21NO2 — CID 46419913

IUPACN-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
SMILESCOc1ccc(C(NC(=O)C(C)C)c2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-13(2)18(20)19-17(14-7-5-4-6-8-14)15-9-11-16(21-3)12-10-15/h4-13,17H,1-3H3,(H,19,20)
InChIKeyORVLOEWJXZYZTA-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.56
Rot. Bonds5

About N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide

N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide (PubChem CID 46419913) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
PubChem CID46419913
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
SMILESCOc1ccc(C(NC(=O)C(C)C)c2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-13(2)18(20)19-17(14-7-5-4-6-8-14)15-9-11-16(21-3)12-10-15/h4-13,17H,1-3H3,(H,19,20)
InChIKeyORVLOEWJXZYZTA-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
(2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243628
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243631
[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 8011640
phenyl N-[(4-methoxyphenyl)-phenylmethyl]carbamate
CID 101077412
N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 877378
2-(4-methoxyphenyl)-N-[phenyl-(4-phenylphenyl)methyl]acetamide
CID 2964251
N-[(4-fluorophenyl)-phenylmethyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 60506189
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide
CID 7373963
1-benzhydryl-3-(4-methoxyphenyl)urea
CID 11602403
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 949191

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide?
The IUPAC name of N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide (CID 46419913) is N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide?
The canonical SMILES for N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide is COc1ccc(C(NC(=O)C(C)C)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide?
The InChIKey is ORVLOEWJXZYZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13(2)18(20)19-17(14-7-5-4-6-8-14)15-9-11-16(21-3)12-10-15/h4-13,17H,1-3H3,(H,19,20).
What are the key properties of N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide?
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide has a molecular weight of 283.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide is sourced from PubChem (CID 46419913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).