2-amino-N-(2-methoxy-4-methylphenyl)-2-methylbutanamide

C13H20N2O2 — CID 79805209

IUPAC2-amino-N-(2-methoxy-4-methylphenyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1ccc(C)cc1OC
InChIInChI=1S/C13H20N2O2/c1-5-13(3,14)12(16)15-10-7-6-9(2)8-11(10)17-4/h6-8H,5,14H2,1-4H3,(H,15,16)
InChIKeyCISGNBKRKYZJDI-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.07
Rot. Bonds4

About 2-amino-N-(2-methoxy-4-methylphenyl)-2-methylbutanamide

2-amino-N-(2-methoxy-4-methylphenyl)-2-methylbutanamide (PubChem CID 79805209) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-N-(2-methoxy-4-methylphenyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-methoxy-4-methylphenyl)-2-methylbutanamide
PubChem CID79805209
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-N-(2-methoxy-4-methylphenyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1ccc(C)cc1OC
InChIInChI=1S/C13H20N2O2/c1-5-13(3,14)12(16)15-10-7-6-9(2)8-11(10)17-4/h6-8H,5,14H2,1-4H3,(H,15,16)
InChIKeyCISGNBKRKYZJDI-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamido-3-methoxyphenyl)-2-amino-2-methylbutanamide
CID 79797274
2-amino-N-(4,5-dimethoxy-2-methylphenyl)-2-methylbutanamide
CID 79796473
2-amino-N-(2,5-dimethylphenyl)-2-methylbutanamide
CID 79797135
2,2,2-trichloro-N-(2-methoxy-4-methylphenyl)acetamide
CID 3499953
N-(2-methoxy-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604669
1-(2-ethyl-2-hydroxybutyl)-3-(2-methoxy-4-methylphenyl)urea
CID 111103660
2-amino-N-(4-bromo-2-methylphenyl)-2-methylbutanamide
CID 79791633
3-(tert-butylamino)-N-(2-methoxy-4-methylphenyl)propanamide
CID 54863187
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-(2-methoxy-4-methylphenyl)urea
CID 111926113
N-(2-methoxy-4-methylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119740565
3-amino-N-(2-methoxy-4-methylphenyl)butanamide
CID 60928646
2-amino-N-[4-(dimethylamino)-2-methylphenyl]-2-methylbutanamide
CID 79797795

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methoxy-4-methylphenyl)-2-methylbutanamide?
The IUPAC name of 2-amino-N-(2-methoxy-4-methylphenyl)-2-methylbutanamide (CID 79805209) is 2-amino-N-(2-methoxy-4-methylphenyl)-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-(2-methoxy-4-methylphenyl)-2-methylbutanamide?
The canonical SMILES for 2-amino-N-(2-methoxy-4-methylphenyl)-2-methylbutanamide is CCC(C)(N)C(=O)Nc1ccc(C)cc1OC.
What is the InChIKey of 2-amino-N-(2-methoxy-4-methylphenyl)-2-methylbutanamide?
The InChIKey is CISGNBKRKYZJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-13(3,14)12(16)15-10-7-6-9(2)8-11(10)17-4/h6-8H,5,14H2,1-4H3,(H,15,16).
What are the key properties of 2-amino-N-(2-methoxy-4-methylphenyl)-2-methylbutanamide?
2-amino-N-(2-methoxy-4-methylphenyl)-2-methylbutanamide has a molecular weight of 236.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methoxy-4-methylphenyl)-2-methylbutanamide is sourced from PubChem (CID 79805209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).