3-amino-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butanamide

C14H22N2O3 — CID 115154202

IUPAC3-amino-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butanamide
SMILESCOc1ccc(CNC(=O)CC(C)N)c(OC)c1C
InChIInChI=1S/C14H22N2O3/c1-9(15)7-13(17)16-8-11-5-6-12(18-3)10(2)14(11)19-4/h5-6,9H,7-8,15H2,1-4H3,(H,16,17)
InChIKeyHWBIKBWXRWGMOV-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.37
Rot. Bonds6

About 3-amino-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butanamide

3-amino-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butanamide (PubChem CID 115154202) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-amino-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butanamide
PubChem CID115154202
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-amino-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butanamide
SMILESCOc1ccc(CNC(=O)CC(C)N)c(OC)c1C
InChIInChI=1S/C14H22N2O3/c1-9(15)7-13(17)16-8-11-5-6-12(18-3)10(2)14(11)19-4/h5-6,9H,7-8,15H2,1-4H3,(H,16,17)
InChIKeyHWBIKBWXRWGMOV-UHFFFAOYSA-N
XLogP1.37
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide
CID 115154347
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 110783236
2-cyano-N-[(2,4-dimethoxy-3-methylphenyl)methyl]acetamide
CID 115173101
4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560098
3-amino-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 115154159
3-amino-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 60836849
3-amino-N-[(3-methoxy-4-methylphenyl)methyl]butanamide
CID 119747528
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-3,4-dimethoxybenzamide
CID 110783214
2-(2,4-dimethoxy-3-methylphenyl)-N'-methylacetohydrazide
CID 116846220
3-amino-N-[(3-bromo-4-methoxyphenyl)methyl]butanamide
CID 115154174
1-[(2,4-dimethoxy-3-methylphenyl)methylamino]propan-2-one
CID 115234740
3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119802030

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butanamide?
The IUPAC name of 3-amino-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butanamide (CID 115154202) is 3-amino-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butanamide.
What is the SMILES notation for 3-amino-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butanamide?
The canonical SMILES for 3-amino-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butanamide is COc1ccc(CNC(=O)CC(C)N)c(OC)c1C.
What is the InChIKey of 3-amino-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butanamide?
The InChIKey is HWBIKBWXRWGMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9(15)7-13(17)16-8-11-5-6-12(18-3)10(2)14(11)19-4/h5-6,9H,7-8,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butanamide?
3-amino-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butanamide has a molecular weight of 266.34 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,4-dimethoxy-3-methylphenyl)methyl]butanamide is sourced from PubChem (CID 115154202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).