N-(3-amino-2-methylphenyl)-2-(2-methylimidazol-1-yl)propanamide

C14H18N4O — CID 16782472

IUPACN-(3-amino-2-methylphenyl)-2-(2-methylimidazol-1-yl)propanamide
SMILESCc1c(N)cccc1NC(=O)C(C)n1ccnc1C
InChIInChI=1S/C14H18N4O/c1-9-12(15)5-4-6-13(9)17-14(19)10(2)18-8-7-16-11(18)3/h4-8,10H,15H2,1-3H3,(H,17,19)
InChIKeyAOXJAPRWMUVHQP-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.28
Rot. Bonds3

About N-(3-amino-2-methylphenyl)-2-(2-methylimidazol-1-yl)propanamide

N-(3-amino-2-methylphenyl)-2-(2-methylimidazol-1-yl)propanamide (PubChem CID 16782472) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-(2-methylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-(2-methylimidazol-1-yl)propanamide
PubChem CID16782472
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-(3-amino-2-methylphenyl)-2-(2-methylimidazol-1-yl)propanamide
SMILESCc1c(N)cccc1NC(=O)C(C)n1ccnc1C
InChIInChI=1S/C14H18N4O/c1-9-12(15)5-4-6-13(9)17-14(19)10(2)18-8-7-16-11(18)3/h4-8,10H,15H2,1-3H3,(H,17,19)
InChIKeyAOXJAPRWMUVHQP-UHFFFAOYSA-N
XLogP2.28
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methylphenyl)-2-pyrimidin-2-ylsulfanylpropanamide
CID 43188427
2-(2-methylimidazol-1-yl)-N-propan-2-ylpropanamide
CID 63810179
N-(3-amino-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 43198911
N-(3-amino-2-methylphenyl)-2-(1,4-thiazepan-4-yl)propanamide
CID 61418715
N-(3-amino-2-methylphenyl)-2-(5-oxo-1,4-diazepan-1-yl)propanamide
CID 63002831
N-tert-butyl-2-(2-methylimidazol-1-yl)propanamide
CID 55239400
N-(3-amino-2-methylphenyl)-2-(1H-imidazol-2-ylsulfanyl)propanamide
CID 107779802
N-(3-amino-2-methylphenyl)-2-(diethylamino)propanamide
CID 16779035
N-(3-amino-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102956099
(3-amino-2-methylphenyl)urea
CID 16770559
N-(3-amino-2-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)propanamide
CID 43544182
N-(3-amino-2-methylphenyl)-2-(2-ethylimidazol-1-yl)acetamide
CID 61402207

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-(2-methylimidazol-1-yl)propanamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-(2-methylimidazol-1-yl)propanamide (CID 16782472) is N-(3-amino-2-methylphenyl)-2-(2-methylimidazol-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-(2-methylimidazol-1-yl)propanamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-(2-methylimidazol-1-yl)propanamide is Cc1c(N)cccc1NC(=O)C(C)n1ccnc1C.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-(2-methylimidazol-1-yl)propanamide?
The InChIKey is AOXJAPRWMUVHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-12(15)5-4-6-13(9)17-14(19)10(2)18-8-7-16-11(18)3/h4-8,10H,15H2,1-3H3,(H,17,19).
What are the key properties of N-(3-amino-2-methylphenyl)-2-(2-methylimidazol-1-yl)propanamide?
N-(3-amino-2-methylphenyl)-2-(2-methylimidazol-1-yl)propanamide has a molecular weight of 258.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-(2-methylimidazol-1-yl)propanamide is sourced from PubChem (CID 16782472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).