N-(4-amino-2-methylphenyl)-4-(2-propan-2-ylimidazol-1-yl)butanamide

C17H24N4O — CID 43825670

IUPACN-(4-amino-2-methylphenyl)-4-(2-propan-2-ylimidazol-1-yl)butanamide
SMILESCc1cc(N)ccc1NC(=O)CCCn1ccnc1C(C)C
InChIInChI=1S/C17H24N4O/c1-12(2)17-19-8-10-21(17)9-4-5-16(22)20-15-7-6-14(18)11-13(15)3/h6-8,10-12H,4-5,9,18H2,1-3H3,(H,20,22)
InChIKeyBZDZFHUYEVWKKM-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.32
Rot. Bonds6

About N-(4-amino-2-methylphenyl)-4-(2-propan-2-ylimidazol-1-yl)butanamide

N-(4-amino-2-methylphenyl)-4-(2-propan-2-ylimidazol-1-yl)butanamide (PubChem CID 43825670) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-4-(2-propan-2-ylimidazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-4-(2-propan-2-ylimidazol-1-yl)butanamide
PubChem CID43825670
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-(4-amino-2-methylphenyl)-4-(2-propan-2-ylimidazol-1-yl)butanamide
SMILESCc1cc(N)ccc1NC(=O)CCCn1ccnc1C(C)C
InChIInChI=1S/C17H24N4O/c1-12(2)17-19-8-10-21(17)9-4-5-16(22)20-15-7-6-14(18)11-13(15)3/h6-8,10-12H,4-5,9,18H2,1-3H3,(H,20,22)
InChIKeyBZDZFHUYEVWKKM-UHFFFAOYSA-N
XLogP3.32
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.32
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-(2-aminophenyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide
CID 43198918
N-(5-amino-2-fluorophenyl)-4-(2-methylimidazol-1-yl)butanamide
CID 16784484
N-(5-amino-2-methylphenyl)-4-(2-oxopyrimidin-1-yl)butanamide
CID 16788281
N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60884711
N-(5-amino-2-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 43198896
N-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265362
N-(4-amino-2-methylphenyl)-3-methylbutanamide
CID 960629
N-(4-amino-2-methylphenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide
CID 62921618
N-(4-amino-2-methylphenyl)-4-pyrimidin-4-ylsulfanylbutanamide
CID 63695851
N-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60885159
4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]aniline
CID 43519618
N-(3-amino-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 43198911

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-4-(2-propan-2-ylimidazol-1-yl)butanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-4-(2-propan-2-ylimidazol-1-yl)butanamide (CID 43825670) is N-(4-amino-2-methylphenyl)-4-(2-propan-2-ylimidazol-1-yl)butanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-4-(2-propan-2-ylimidazol-1-yl)butanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-4-(2-propan-2-ylimidazol-1-yl)butanamide is Cc1cc(N)ccc1NC(=O)CCCn1ccnc1C(C)C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-4-(2-propan-2-ylimidazol-1-yl)butanamide?
The InChIKey is BZDZFHUYEVWKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-12(2)17-19-8-10-21(17)9-4-5-16(22)20-15-7-6-14(18)11-13(15)3/h6-8,10-12H,4-5,9,18H2,1-3H3,(H,20,22).
What are the key properties of N-(4-amino-2-methylphenyl)-4-(2-propan-2-ylimidazol-1-yl)butanamide?
N-(4-amino-2-methylphenyl)-4-(2-propan-2-ylimidazol-1-yl)butanamide has a molecular weight of 300.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-4-(2-propan-2-ylimidazol-1-yl)butanamide is sourced from PubChem (CID 43825670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).