2-amino-6-methyl-N-(4-propan-2-ylphenyl)benzamide

C17H20N2O — CID 18069728

IUPAC2-amino-6-methyl-N-(4-propan-2-ylphenyl)benzamide
SMILESCc1cccc(N)c1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C17H20N2O/c1-11(2)13-7-9-14(10-8-13)19-17(20)16-12(3)5-4-6-15(16)18/h4-11H,18H2,1-3H3,(H,19,20)
InChIKeyRLJQANGWVPKRKH-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.95
Rot. Bonds3

About 2-amino-6-methyl-N-(4-propan-2-ylphenyl)benzamide

2-amino-6-methyl-N-(4-propan-2-ylphenyl)benzamide (PubChem CID 18069728) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-amino-6-methyl-N-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-(4-propan-2-ylphenyl)benzamide
PubChem CID18069728
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-amino-6-methyl-N-(4-propan-2-ylphenyl)benzamide
SMILESCc1cccc(N)c1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C17H20N2O/c1-11(2)13-7-9-14(10-8-13)19-17(20)16-12(3)5-4-6-15(16)18/h4-11H,18H2,1-3H3,(H,19,20)
InChIKeyRLJQANGWVPKRKH-UHFFFAOYSA-N
XLogP3.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.95
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

2-amino-N-(4-ethylphenyl)-6-methylbenzamide
CID 16788782
2-amino-6-methyl-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 61117390
N-(4-aminophenyl)-2,6-dimethylbenzamide
CID 114025945
3-amino-2-chloro-N-(4-propan-2-ylphenyl)benzamide
CID 115930102
2-amino-N-(4-fluoro-3-methylphenyl)-6-methylbenzamide
CID 55119448
2-amino-N-[4-(cyanomethyl)phenyl]-6-methylbenzamide
CID 62301838
5-amino-2,4-dimethyl-N-(4-propan-2-ylphenyl)benzamide
CID 102704929
2-amino-N-(2-chlorophenyl)-6-methylbenzamide
CID 16785685
N-(3-amino-4-chlorophenyl)-2,6-dimethylbenzamide
CID 107999858
2-amino-6-methylbenzohydrazide;ethane
CID 145125009
2-methyl-N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]benzamide
CID 17251708
2-amino-N-(4-fluoro-3-methoxyphenyl)-6-methylbenzamide
CID 114836825

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-(4-propan-2-ylphenyl)benzamide?
The IUPAC name of 2-amino-6-methyl-N-(4-propan-2-ylphenyl)benzamide (CID 18069728) is 2-amino-6-methyl-N-(4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 2-amino-6-methyl-N-(4-propan-2-ylphenyl)benzamide?
The canonical SMILES for 2-amino-6-methyl-N-(4-propan-2-ylphenyl)benzamide is Cc1cccc(N)c1C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-amino-6-methyl-N-(4-propan-2-ylphenyl)benzamide?
The InChIKey is RLJQANGWVPKRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11(2)13-7-9-14(10-8-13)19-17(20)16-12(3)5-4-6-15(16)18/h4-11H,18H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-6-methyl-N-(4-propan-2-ylphenyl)benzamide?
2-amino-6-methyl-N-(4-propan-2-ylphenyl)benzamide has a molecular weight of 268.36 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-(4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 18069728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).