4-(4-amino-5-methyl-2-propan-2-ylphenyl)-N-methylbenzamide

C18H22N2O — CID 59586785

IUPAC4-(4-amino-5-methyl-2-propan-2-ylphenyl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cc(C)c(N)cc2C(C)C)cc1
InChIInChI=1S/C18H22N2O/c1-11(2)15-10-17(19)12(3)9-16(15)13-5-7-14(8-6-13)18(21)20-4/h5-11H,19H2,1-4H3,(H,20,21)
InChIKeyJLYNFNBXVSWZAU-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.73
Rot. Bonds3

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

4-(4-amino-5-methyl-2-propan-2-ylphenyl)-N-methylbenzamide (PubChem CID 59586785) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-(4-amino-5-methyl-2-propan-2-ylphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(4-amino-5-methyl-2-propan-2-ylphenyl)-N-methylbenzamide
PubChem CID59586785
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-(4-amino-5-methyl-2-propan-2-ylphenyl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2cc(C)c(N)cc2C(C)C)cc1
InChIInChI=1S/C18H22N2O/c1-11(2)15-10-17(19)12(3)9-16(15)13-5-7-14(8-6-13)18(21)20-4/h5-11H,19H2,1-4H3,(H,20,21)
InChIKeyJLYNFNBXVSWZAU-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-2,5-dimethylphenyl)-N-methylbenzamide
CID 89203284
4-(4-aminophenyl)-N-methylbenzamide
CID 91665695
N-methyl-4-(2-propan-2-yl-3-pyridinyl)benzamide
CID 90162280
N-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide
CID 103144350
4-(2-amino-5-methoxy-6-methyl-3-pyridinyl)-N-methylbenzamide
CID 162626905
4-(2-amino-6-methyl-4-pyridinyl)-N-methylbenzamide
CID 170636977
N-methyl-3-(2-propan-2-ylphenyl)benzamide
CID 142590167
(2R)-2-[(4-amino-3-methylbenzoyl)amino]propanoic acid
CID 78972566
3-methyl-4-propan-2-ylbenzohydrazide
CID 130427973
4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylbenzamide
CID 121326882
3-amino-4-(4-bromophenyl)sulfanyl-N-methylbenzamide
CID 78984501
(4-chloro-5-methyl-2-propan-2-ylphenyl) 4-(methylcarbamoyl)benzenesulfonate
CID 27300615

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-5-methyl-2-propan-2-ylphenyl)-N-methylbenzamide?
The IUPAC name of 4-(4-amino-5-methyl-2-propan-2-ylphenyl)-N-methylbenzamide (CID 59586785) is 4-(4-amino-5-methyl-2-propan-2-ylphenyl)-N-methylbenzamide.
What is the SMILES notation for 4-(4-amino-5-methyl-2-propan-2-ylphenyl)-N-methylbenzamide?
The canonical SMILES for 4-(4-amino-5-methyl-2-propan-2-ylphenyl)-N-methylbenzamide is CNC(=O)c1ccc(-c2cc(C)c(N)cc2C(C)C)cc1.
What is the InChIKey of 4-(4-amino-5-methyl-2-propan-2-ylphenyl)-N-methylbenzamide?
The InChIKey is JLYNFNBXVSWZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-11(2)15-10-17(19)12(3)9-16(15)13-5-7-14(8-6-13)18(21)20-4/h5-11H,19H2,1-4H3,(H,20,21).
What are the key properties of 4-(4-amino-5-methyl-2-propan-2-ylphenyl)-N-methylbenzamide?
4-(4-amino-5-methyl-2-propan-2-ylphenyl)-N-methylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-5-methyl-2-propan-2-ylphenyl)-N-methylbenzamide is sourced from PubChem (CID 59586785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).