N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide

C12H18N2O2 — CID 60972714

IUPACN-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide
SMILESCOc1ccc(CNC(=O)C(C)C)cc1N
InChIInChI=1S/C12H18N2O2/c1-8(2)12(15)14-7-9-4-5-11(16-3)10(13)6-9/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyLGKOSJIFQBONOY-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.55
Rot. Bonds4

About N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide

N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide (PubChem CID 60972714) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide
PubChem CID60972714
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide
SMILESCOc1ccc(CNC(=O)C(C)C)cc1N
InChIInChI=1S/C12H18N2O2/c1-8(2)12(15)14-7-9-4-5-11(16-3)10(13)6-9/h4-6,8H,7,13H2,1-3H3,(H,14,15)
InChIKeyLGKOSJIFQBONOY-UHFFFAOYSA-N
XLogP1.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.55
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

N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-fluorophenyl)acetamide
CID 60972241
N-[(3-amino-4-methoxyphenyl)methyl]-2-(3-chlorophenyl)acetamide
CID 62503557
N-[(3-amino-4-methoxyphenyl)methyl]cyclopropanecarboxamide
CID 60972239
N-[(3-amino-4-methoxyphenyl)methyl]-2,2-dimethylbutanamide
CID 62678934
N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide
CID 107999896
N-[(3-amino-4-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 60973203
N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide
CID 60973085
N-[(3-amino-4-methoxyphenyl)methyl]-2-cyclopropylacetamide
CID 55031718
1-[(3-amino-4-methoxyphenyl)methyl]-3-butylurea
CID 54881405
N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide
CID 60972237
N-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide
CID 82877628
N-[(3-amino-4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 79155782

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide (CID 60972714) is N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide is COc1ccc(CNC(=O)C(C)C)cc1N.
What is the InChIKey of N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide?
The InChIKey is LGKOSJIFQBONOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8(2)12(15)14-7-9-4-5-11(16-3)10(13)6-9/h4-6,8H,7,13H2,1-3H3,(H,14,15).
What are the key properties of N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide?
N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-methoxyphenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 60972714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).