3-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide

C14H22N2O2 — CID 115154214

IUPAC3-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide
SMILESCOc1cc(C)cc(C)c1CNC(=O)CC(C)N
InChIInChI=1S/C14H22N2O2/c1-9-5-10(2)12(13(6-9)18-4)8-16-14(17)7-11(3)15/h5-6,11H,7-8,15H2,1-4H3,(H,16,17)
InChIKeyXPJNZJYPRVGNME-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.67
Rot. Bonds5

About 3-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide

3-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide (PubChem CID 115154214) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide
PubChem CID115154214
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide
SMILESCOc1cc(C)cc(C)c1CNC(=O)CC(C)N
InChIInChI=1S/C14H22N2O2/c1-9-5-10(2)12(13(6-9)18-4)8-16-14(17)7-11(3)15/h5-6,11H,7-8,15H2,1-4H3,(H,16,17)
InChIKeyXPJNZJYPRVGNME-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]pentanamide
CID 115156719
3-hydroxy-N-[(2-methoxy-4,6-dimethylphenyl)methyl]propanamide
CID 115139063
4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide
CID 115155305
3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide
CID 119747528
3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 115154159
3-amino-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 60836849
3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride
CID 119694321
3-amino-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butanamide
CID 115154202
3-amino-N-(2-methoxy-4-methylphenyl)butanamide
CID 60928646
3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]butanamide
CID 115154174
2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide
CID 120985346
2-amino-3-methoxy-N-[(2,4,6-trimethylphenyl)methyl]propanamide;hydrochloride
CID 120985345

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide?
The IUPAC name of 3-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide (CID 115154214) is 3-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide.
What is the SMILES notation for 3-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide?
The canonical SMILES for 3-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide is COc1cc(C)cc(C)c1CNC(=O)CC(C)N.
What is the InChIKey of 3-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide?
The InChIKey is XPJNZJYPRVGNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-5-10(2)12(13(6-9)18-4)8-16-14(17)7-11(3)15/h5-6,11H,7-8,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide?
3-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide has a molecular weight of 250.34 g/mol, XLogP of 1.67, 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-4,6-dimethylphenyl)methyl]butanamide is sourced from PubChem (CID 115154214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).