4-amino-N-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutanamide

C15H24N2O2 — CID 115157186

IUPAC4-amino-N-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutanamide
SMILESCOc1cc(C)c(C)cc1NC(=O)CC(C)(C)CN
InChIInChI=1S/C15H24N2O2/c1-10-6-12(13(19-5)7-11(10)2)17-14(18)8-15(3,4)9-16/h6-7H,8-9,16H2,1-5H3,(H,17,18)
InChIKeyGBXSPBMDNUEQCG-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.63
Rot. Bonds5

About 4-amino-N-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutanamide

4-amino-N-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutanamide (PubChem CID 115157186) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-amino-N-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutanamide
PubChem CID115157186
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-amino-N-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutanamide
SMILESCOc1cc(C)c(C)cc1NC(=O)CC(C)(C)CN
InChIInChI=1S/C15H24N2O2/c1-10-6-12(13(19-5)7-11(10)2)17-14(18)8-15(3,4)9-16/h6-7H,8-9,16H2,1-5H3,(H,17,18)
InChIKeyGBXSPBMDNUEQCG-UHFFFAOYSA-N
XLogP2.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-4,5-dimethylphenyl)propanamide
CID 110776816
4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxybutanamide;hydrochloride
CID 120586582
1-(aminomethyl)-N-(2-methoxy-4,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 115182516
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604853
N-(2-amino-4,5-dimethylphenyl)-3,3-dimethylbutanamide
CID 28691585
N-(2,5-dimethoxy-4-methylphenyl)-3-sulfanylpropanamide
CID 115167651
N'-(5-chloro-2-methoxy-4-methylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 115199799
N-[2,5-dimethoxy-4-(propanoylamino)phenyl]propanamide
CID 146415874
N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
CID 129040736
5-(5-acetamido-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 27155299
N-(5-chloro-2-methoxy-4-methylphenyl)-4-hydroxybutanamide
CID 115162783
N-(2-methoxy-5-methylphenyl)-3-methyl-3-(methylamino)butanamide
CID 110838289

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutanamide?
The IUPAC name of 4-amino-N-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutanamide (CID 115157186) is 4-amino-N-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutanamide.
What is the SMILES notation for 4-amino-N-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutanamide?
The canonical SMILES for 4-amino-N-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutanamide is COc1cc(C)c(C)cc1NC(=O)CC(C)(C)CN.
What is the InChIKey of 4-amino-N-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutanamide?
The InChIKey is GBXSPBMDNUEQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-6-12(13(19-5)7-11(10)2)17-14(18)8-15(3,4)9-16/h6-7H,8-9,16H2,1-5H3,(H,17,18).
What are the key properties of 4-amino-N-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutanamide?
4-amino-N-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutanamide has a molecular weight of 264.37 g/mol, XLogP of 2.63, 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-4,5-dimethylphenyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 115157186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).