2-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpropanamide

C18H22N2O3 — CID 120587952

IUPAC2-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpropanamide
SMILESCOc1ccc(CNC(=O)C(C)(N)c2ccccc2)c(OC)c1
InChIInChI=1S/C18H22N2O3/c1-18(19,14-7-5-4-6-8-14)17(21)20-12-13-9-10-15(22-2)11-16(13)23-3/h4-11H,12,19H2,1-3H3,(H,20,21)
InChIKeyYCUWIXARZHWPNT-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.19
Rot. Bonds6

About 2-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpropanamide

2-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpropanamide (PubChem CID 120587952) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpropanamide
PubChem CID120587952
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpropanamide
SMILESCOc1ccc(CNC(=O)C(C)(N)c2ccccc2)c(OC)c1
InChIInChI=1S/C18H22N2O3/c1-18(19,14-7-5-4-6-8-14)17(21)20-12-13-9-10-15(22-2)11-16(13)23-3/h4-11H,12,19H2,1-3H3,(H,20,21)
InChIKeyYCUWIXARZHWPNT-UHFFFAOYSA-N
XLogP2.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylpropanamide
CID 120593283
2-amino-N-[(4-methoxyphenyl)methyl]-2-phenylpropanamide
CID 62489084
N'-[(2,4-dimethoxyphenyl)methyl]-1,1-diphenylethane-1,2-diamine
CID 67729247
(2,4-dimethoxyphenyl)methylurea
CID 53362457
1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
tert-butyl N-[1-[(2,4-dimethoxyphenyl)methylamino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 130363598
2-amino-N-(4-methoxy-2-methylphenyl)-2-phenylpropanamide
CID 62870992
N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 46590301
N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
CID 46590205
N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
CID 55190564
2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride
CID 120592099

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpropanamide (CID 120587952) is 2-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpropanamide is COc1ccc(CNC(=O)C(C)(N)c2ccccc2)c(OC)c1.
What is the InChIKey of 2-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpropanamide?
The InChIKey is YCUWIXARZHWPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-18(19,14-7-5-4-6-8-14)17(21)20-12-13-9-10-15(22-2)11-16(13)23-3/h4-11H,12,19H2,1-3H3,(H,20,21).
What are the key properties of 2-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpropanamide?
2-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpropanamide has a molecular weight of 314.39 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpropanamide is sourced from PubChem (CID 120587952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).