2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide

C18H22N2O2 — CID 42911817

IUPAC2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)N(C)Cc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-14(20(2)13-15-9-5-4-6-10-15)18(21)19-16-11-7-8-12-17(16)22-3/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeyMFRBPQJPTNAGNP-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.15
Rot. Bonds6

About 2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide

2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide (PubChem CID 42911817) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
PubChem CID42911817
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)N(C)Cc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-14(20(2)13-15-9-5-4-6-10-15)18(21)19-16-11-7-8-12-17(16)22-3/h4-12,14H,13H2,1-3H3,(H,19,21)
InChIKeyMFRBPQJPTNAGNP-UHFFFAOYSA-N
XLogP3.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyphenyl)-2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]propanamide
CID 46573624
(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9432375
(2S)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9054255
(2R)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 8517845
N-[2-(aminomethyl)phenyl]-2-[benzyl(methyl)amino]propanamide
CID 18070950
(2R)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 9357067
(2R)-N-(2-methoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanamide
CID 9434103
(2R)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9045840
(2S)-2-[(2,4-dimethylphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9045836
N-(2-methoxyphenyl)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]propanamide
CID 47076191
N-[2-(difluoromethoxy)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]propanamide
CID 18094148
(2S)-N-(2-ethoxyphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide
CID 40761080

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide (CID 42911817) is 2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)C(C)N(C)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide?
The InChIKey is MFRBPQJPTNAGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(20(2)13-15-9-5-4-6-10-15)18(21)19-16-11-7-8-12-17(16)22-3/h4-12,14H,13H2,1-3H3,(H,19,21).
What are the key properties of 2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide?
2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide has a molecular weight of 298.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 42911817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).