3-amino-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2-methylpropanamide

C14H22N2O2 — CID 115153646

IUPAC3-amino-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2-methylpropanamide
SMILESCOc1cc(C)c(C)cc1CNC(=O)C(C)CN
InChIInChI=1S/C14H22N2O2/c1-9-5-12(13(18-4)6-10(9)2)8-16-14(17)11(3)7-15/h5-6,11H,7-8,15H2,1-4H3,(H,16,17)
InChIKeyRLHXJAKNFCSXJN-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.52
Rot. Bonds5

About 3-amino-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2-methylpropanamide

3-amino-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2-methylpropanamide (PubChem CID 115153646) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2-methylpropanamide
PubChem CID115153646
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2-methylpropanamide
SMILESCOc1cc(C)c(C)cc1CNC(=O)C(C)CN
InChIInChI=1S/C14H22N2O2/c1-9-5-12(13(18-4)6-10(9)2)8-16-14(17)11(3)7-15/h5-6,11H,7-8,15H2,1-4H3,(H,16,17)
InChIKeyRLHXJAKNFCSXJN-UHFFFAOYSA-N
XLogP1.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-hydroxy-N-[(2-methoxy-4,5-dimethylphenyl)methyl]propanamide
CID 115180522
2-(aminomethyl)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]butanamide
CID 115186970
2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide
CID 115179871
1-[(2-methoxy-4,5-dimethylphenyl)methyl]-3-methylurea
CID 115169112
(2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119271842
3-amino-2-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]propanamide
CID 115153649
2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119271866
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-2-methylpropanamide
CID 110781864
3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide
CID 115153476
N-[(2-methoxy-4-methylphenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119808697
3-amino-N-(4-methoxy-3,5-dimethylphenyl)-2-methylpropanamide
CID 115153518
2-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pentanamide
CID 119690656

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2-methylpropanamide?
The IUPAC name of 3-amino-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2-methylpropanamide (CID 115153646) is 3-amino-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2-methylpropanamide is COc1cc(C)c(C)cc1CNC(=O)C(C)CN.
What is the InChIKey of 3-amino-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2-methylpropanamide?
The InChIKey is RLHXJAKNFCSXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-5-12(13(18-4)6-10(9)2)8-16-14(17)11(3)7-15/h5-6,11H,7-8,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2-methylpropanamide?
3-amino-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2-methylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 115153646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).