N-[(2-methoxy-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide

C14H22N2O2 — CID 119808697

IUPACN-[(2-methoxy-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCc1ccc(C)cc1OC
InChIInChI=1S/C14H22N2O2/c1-10-5-6-12(13(7-10)18-4)9-16-14(17)11(2)8-15-3/h5-7,11,15H,8-9H2,1-4H3,(H,16,17)
InChIKeyYNQAEKWXAZZTIH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.48
Rot. Bonds6

About N-[(2-methoxy-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide

N-[(2-methoxy-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119808697) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(2-methoxy-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[(2-methoxy-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119808697
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(2-methoxy-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCc1ccc(C)cc1OC
InChIInChI=1S/C14H22N2O2/c1-10-5-6-12(13(7-10)18-4)9-16-14(17)11(2)8-15-3/h5-7,11,15H,8-9H2,1-4H3,(H,16,17)
InChIKeyYNQAEKWXAZZTIH-UHFFFAOYSA-N
XLogP1.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methoxy-N-[(2-methoxy-4-methylphenyl)methyl]propanamide
CID 120992441
2-methyl-3-(methylamino)-N-[[2-(4-methylphenoxy)phenyl]methyl]propanamide
CID 119777795
2-[(2-methoxy-4-methylphenyl)methylamino]-2-oxoacetic acid
CID 67265253
N-[(2-methoxy-5-methylphenyl)methyl]-2-(methylaminomethyl)butanamide
CID 115188857
3-[(2-methoxy-4-methylphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122006283
(2S)-2-amino-N-[(2-methoxy-4-methylphenyl)methyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119337835
3-(2-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 82611587
3-amino-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2-methylpropanamide
CID 115153646
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79196113
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119687194
2-methyl-3-(methylamino)-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide
CID 119744421
(2R)-2-(2,4-dimethylphenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 124561460

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[(2-methoxy-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide (CID 119808697) is N-[(2-methoxy-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[(2-methoxy-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[(2-methoxy-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NCc1ccc(C)cc1OC.
What is the InChIKey of N-[(2-methoxy-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is YNQAEKWXAZZTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-5-6-12(13(7-10)18-4)9-16-14(17)11(2)8-15-3/h5-7,11,15H,8-9H2,1-4H3,(H,16,17).
What are the key properties of N-[(2-methoxy-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide?
N-[(2-methoxy-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119808697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).