4-amino-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)benzamide

C18H22N2O2 — CID 5268895

IUPAC4-amino-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)benzamide
SMILESCOc1cc(C)c(NC(=O)c2ccc(N)cc2)cc1C(C)C
InChIInChI=1S/C18H22N2O2/c1-11(2)15-10-16(12(3)9-17(15)22-4)20-18(21)13-5-7-14(19)8-6-13/h5-11H,19H2,1-4H3,(H,20,21)
InChIKeyYVDGGDQFDGTEPB-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.96
Rot. Bonds4

About 4-amino-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)benzamide

4-amino-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)benzamide (PubChem CID 5268895) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-amino-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)benzamide
PubChem CID5268895
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name4-amino-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)benzamide
SMILESCOc1cc(C)c(NC(=O)c2ccc(N)cc2)cc1C(C)C
InChIInChI=1S/C18H22N2O2/c1-11(2)15-10-16(12(3)9-17(15)22-4)20-18(21)13-5-7-14(19)8-6-13/h5-11H,19H2,1-4H3,(H,20,21)
InChIKeyYVDGGDQFDGTEPB-UHFFFAOYSA-N
XLogP3.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 110792705
N-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide
CID 103144350
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-sulfanylpropanamide
CID 115167626
N-(5-amino-2-methylphenyl)-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride
CID 120568157
4-amino-N-(2,4-dimethylphenyl)benzamide
CID 835597
N-(5-amino-2,4-dimethylphenyl)-3-methoxy-4-methylbenzamide
CID 104756886
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100715402
N-(4,5-dimethoxy-2-methylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 7751072
3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide
CID 46489735
4-amino-N-(3-methoxy-2,4-dimethylphenyl)benzamide
CID 43697374
4-methoxy-2-methyl-N-phenyl-5-propan-2-ylbenzamide
CID 83407606

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-amino-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)benzamide (CID 5268895) is 4-amino-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-amino-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-amino-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)benzamide is COc1cc(C)c(NC(=O)c2ccc(N)cc2)cc1C(C)C.
What is the InChIKey of 4-amino-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)benzamide?
The InChIKey is YVDGGDQFDGTEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-11(2)15-10-16(12(3)9-17(15)22-4)20-18(21)13-5-7-14(19)8-6-13/h5-11H,19H2,1-4H3,(H,20,21).
What are the key properties of 4-amino-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)benzamide?
4-amino-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)benzamide has a molecular weight of 298.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 5268895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).