4-amino-N-(2-methoxy-3,4,6-trimethylphenyl)butanamide

C14H22N2O2 — CID 115155164

IUPAC4-amino-N-(2-methoxy-3,4,6-trimethylphenyl)butanamide
SMILESCOc1c(C)c(C)cc(C)c1NC(=O)CCCN
InChIInChI=1S/C14H22N2O2/c1-9-8-10(2)13(14(18-4)11(9)3)16-12(17)6-5-7-15/h8H,5-7,15H2,1-4H3,(H,16,17)
InChIKeyVBQDWQGBWDALBE-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.30
Rot. Bonds5

About 4-amino-N-(2-methoxy-3,4,6-trimethylphenyl)butanamide

4-amino-N-(2-methoxy-3,4,6-trimethylphenyl)butanamide (PubChem CID 115155164) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-amino-N-(2-methoxy-3,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxy-3,4,6-trimethylphenyl)butanamide
PubChem CID115155164
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-amino-N-(2-methoxy-3,4,6-trimethylphenyl)butanamide
SMILESCOc1c(C)c(C)cc(C)c1NC(=O)CCCN
InChIInChI=1S/C14H22N2O2/c1-9-8-10(2)13(14(18-4)11(9)3)16-12(17)6-5-7-15/h8H,5-7,15H2,1-4H3,(H,16,17)
InChIKeyVBQDWQGBWDALBE-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-3,4,6-trimethylphenyl)-4-oxopentanamide
CID 115176749
methyl N-(2-methoxy-3,4,6-trimethylphenyl)carbamate
CID 115190424
4-amino-N-(3,5-difluoro-4-methoxyphenyl)butanamide
CID 119290632
4-(2-methoxy-3,4,6-trimethylanilino)butan-2-one
CID 115235463
5-(4-aminobutanoylamino)-2,3-dimethylbenzoic acid
CID 63020000
N-(4-methoxy-2,6-dimethylphenyl)butanamide
CID 155118629
2-amino-N-(2,3,5,6-tetramethylphenyl)acetamide
CID 82492252
7-amino-N-(3,4,5-trimethoxyphenyl)heptanamide;hydrochloride
CID 119671440
4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide
CID 43703344
4-amino-N-[(2-methoxy-4,6-dimethylphenyl)methyl]butanamide
CID 115155305
N-(4-formyl-2-methoxy-3,6-dimethylphenyl)acetamide
CID 84787865
5-(4-methoxy-3,5-dimethylanilino)-5-oxopentanoic acid
CID 115163818

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methoxy-3,4,6-trimethylphenyl)butanamide?
The IUPAC name of 4-amino-N-(2-methoxy-3,4,6-trimethylphenyl)butanamide (CID 115155164) is 4-amino-N-(2-methoxy-3,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for 4-amino-N-(2-methoxy-3,4,6-trimethylphenyl)butanamide?
The canonical SMILES for 4-amino-N-(2-methoxy-3,4,6-trimethylphenyl)butanamide is COc1c(C)c(C)cc(C)c1NC(=O)CCCN.
What is the InChIKey of 4-amino-N-(2-methoxy-3,4,6-trimethylphenyl)butanamide?
The InChIKey is VBQDWQGBWDALBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-8-10(2)13(14(18-4)11(9)3)16-12(17)6-5-7-15/h8H,5-7,15H2,1-4H3,(H,16,17).
What are the key properties of 4-amino-N-(2-methoxy-3,4,6-trimethylphenyl)butanamide?
4-amino-N-(2-methoxy-3,4,6-trimethylphenyl)butanamide has a molecular weight of 250.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methoxy-3,4,6-trimethylphenyl)butanamide is sourced from PubChem (CID 115155164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).