5-amino-2,4-dimethyl-N-(4-propan-2-ylphenyl)benzamide

C18H22N2O — CID 102704929

IUPAC5-amino-2,4-dimethyl-N-(4-propan-2-ylphenyl)benzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(C(C)C)cc2)cc1N
InChIInChI=1S/C18H22N2O/c1-11(2)14-5-7-15(8-6-14)20-18(21)16-10-17(19)13(4)9-12(16)3/h5-11H,19H2,1-4H3,(H,20,21)
InChIKeyHMVGMBUWTFADLX-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.26
Rot. Bonds3

About 5-amino-2,4-dimethyl-N-(4-propan-2-ylphenyl)benzamide

5-amino-2,4-dimethyl-N-(4-propan-2-ylphenyl)benzamide (PubChem CID 102704929) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-amino-2,4-dimethyl-N-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name5-amino-2,4-dimethyl-N-(4-propan-2-ylphenyl)benzamide
PubChem CID102704929
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name5-amino-2,4-dimethyl-N-(4-propan-2-ylphenyl)benzamide
SMILESCc1cc(C)c(C(=O)Nc2ccc(C(C)C)cc2)cc1N
InChIInChI=1S/C18H22N2O/c1-11(2)14-5-7-15(8-6-14)20-18(21)16-10-17(19)13(4)9-12(16)3/h5-11H,19H2,1-4H3,(H,20,21)
InChIKeyHMVGMBUWTFADLX-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
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-5-chloro-N-(4-propan-2-ylphenyl)benzamide
CID 6481533
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
2-bromo-5-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 81110310
3-amino-2-chloro-N-(4-propan-2-ylphenyl)benzamide
CID 115930102
N-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide
CID 103144350
2-methyl-N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]benzamide
CID 17251708
2-amino-6-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 18069728
5-amino-N-(2-chloro-4-pyridinyl)-2,4-dimethylbenzamide
CID 102705824
5-amino-2-methyl-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 61040068
5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide
CID 107581692
3-amino-N-[4-[(1R)-1-hydroxyethyl]phenyl]-4-methylbenzamide
CID 100803507
5-chloro-2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide
CID 62238383

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethyl-N-(4-propan-2-ylphenyl)benzamide?
The IUPAC name of 5-amino-2,4-dimethyl-N-(4-propan-2-ylphenyl)benzamide (CID 102704929) is 5-amino-2,4-dimethyl-N-(4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 5-amino-2,4-dimethyl-N-(4-propan-2-ylphenyl)benzamide?
The canonical SMILES for 5-amino-2,4-dimethyl-N-(4-propan-2-ylphenyl)benzamide is Cc1cc(C)c(C(=O)Nc2ccc(C(C)C)cc2)cc1N.
What is the InChIKey of 5-amino-2,4-dimethyl-N-(4-propan-2-ylphenyl)benzamide?
The InChIKey is HMVGMBUWTFADLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-11(2)14-5-7-15(8-6-14)20-18(21)16-10-17(19)13(4)9-12(16)3/h5-11H,19H2,1-4H3,(H,20,21).
What are the key properties of 5-amino-2,4-dimethyl-N-(4-propan-2-ylphenyl)benzamide?
5-amino-2,4-dimethyl-N-(4-propan-2-ylphenyl)benzamide has a molecular weight of 282.39 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethyl-N-(4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 102704929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).