N-(4-amino-3-methylphenyl)-2-methoxy-2-methylpropanamide

C12H18N2O2 — CID 103017832

IUPACN-(4-amino-3-methylphenyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1ccc(N)c(C)c1
InChIInChI=1S/C12H18N2O2/c1-8-7-9(5-6-10(8)13)14-11(15)12(2,3)16-4/h5-7H,13H2,1-4H3,(H,14,15)
InChIKeyHXESKILYDIADOE-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.94
Rot. Bonds3

About N-(4-amino-3-methylphenyl)-2-methoxy-2-methylpropanamide

N-(4-amino-3-methylphenyl)-2-methoxy-2-methylpropanamide (PubChem CID 103017832) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(4-amino-3-methylphenyl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-amino-3-methylphenyl)-2-methoxy-2-methylpropanamide
PubChem CID103017832
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(4-amino-3-methylphenyl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1ccc(N)c(C)c1
InChIInChI=1S/C12H18N2O2/c1-8-7-9(5-6-10(8)13)14-11(15)12(2,3)16-4/h5-7H,13H2,1-4H3,(H,14,15)
InChIKeyHXESKILYDIADOE-UHFFFAOYSA-N
XLogP1.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-[(2-methoxy-2-methylpropanoyl)amino]-2-methylphenyl]prop-2-enoic acid
CID 103022373
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-2-methoxy-2-methylpropanamide
CID 103021981
N-(3-bromo-5-methylphenyl)-2-methoxy-2-methylpropanamide
CID 104938678
methyl 2-(4-amino-3-methylanilino)acetate
CID 43436219
N-(4-acetylphenyl)-2-methoxy-2-methylpropanamide
CID 113233232
5-[(2-methoxy-2-methylpropanoyl)amino]benzene-1,3-dicarboxamide
CID 103028794
N,N'-bis(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967928
N-(4-bromo-2,6-dimethylphenyl)-2-methoxy-2-methylpropanamide
CID 103020703
N-(4-formylphenyl)-2-methoxy-2-methylpropanamide
CID 106912194
N-(4-amino-3-methylphenyl)prop-2-enamide
CID 90104581
2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 18709942
2-[2-fluoro-4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid
CID 122109787

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylphenyl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(4-amino-3-methylphenyl)-2-methoxy-2-methylpropanamide (CID 103017832) is N-(4-amino-3-methylphenyl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(4-amino-3-methylphenyl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(4-amino-3-methylphenyl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1ccc(N)c(C)c1.
What is the InChIKey of N-(4-amino-3-methylphenyl)-2-methoxy-2-methylpropanamide?
The InChIKey is HXESKILYDIADOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-7-9(5-6-10(8)13)14-11(15)12(2,3)16-4/h5-7H,13H2,1-4H3,(H,14,15).
What are the key properties of N-(4-amino-3-methylphenyl)-2-methoxy-2-methylpropanamide?
N-(4-amino-3-methylphenyl)-2-methoxy-2-methylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methylphenyl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 103017832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).