3-amino-4-methyl-N-(2-methyl-2-phenylpropyl)benzamide

C18H22N2O — CID 60987768

IUPAC3-amino-4-methyl-N-(2-methyl-2-phenylpropyl)benzamide
SMILESCc1ccc(C(=O)NCC(C)(C)c2ccccc2)cc1N
InChIInChI=1S/C18H22N2O/c1-13-9-10-14(11-16(13)19)17(21)20-12-18(2,3)15-7-5-4-6-8-15/h4-11H,12,19H2,1-3H3,(H,20,21)
InChIKeyKGNVEFLBDRKURB-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.28
Rot. Bonds4

About 3-amino-4-methyl-N-(2-methyl-2-phenylpropyl)benzamide

3-amino-4-methyl-N-(2-methyl-2-phenylpropyl)benzamide (PubChem CID 60987768) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(2-methyl-2-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(2-methyl-2-phenylpropyl)benzamide
PubChem CID60987768
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-amino-4-methyl-N-(2-methyl-2-phenylpropyl)benzamide
SMILESCc1ccc(C(=O)NCC(C)(C)c2ccccc2)cc1N
InChIInChI=1S/C18H22N2O/c1-13-9-10-14(11-16(13)19)17(21)20-12-18(2,3)15-7-5-4-6-8-15/h4-11H,12,19H2,1-3H3,(H,20,21)
InChIKeyKGNVEFLBDRKURB-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.28
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

3,4-dimethyl-N-(2-methyl-2-phenylpropyl)benzamide
CID 113090275
3-amino-4-bromo-N-(2-methyl-2-phenylpropyl)benzamide
CID 61139412
3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide
CID 54979034
3-amino-N-benzyl-4-methylbenzamide
CID 12607982
2-[[(3-amino-4-methylbenzoyl)amino]methyl]-2-ethylbutanoic acid
CID 115430375
3-amino-N-(2-hydroxy-2-methylpentyl)-4-methylbenzamide
CID 106289291
methyl 4-[(2-methyl-2-phenylpropyl)carbamoyl]benzoate
CID 46400629
ethyl 2-[(3-amino-4-methylbenzoyl)amino]acetate
CID 60810629
4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide
CID 39700417
4-[(3-amino-4-methylbenzoyl)amino]butanoic acid
CID 61158961
3-amino-N-tert-butyl-4-methylbenzamide
CID 12607979
3-amino-N-(2-methyl-2-phenylpropyl)thiophene-2-carboxamide
CID 61139791

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(2-methyl-2-phenylpropyl)benzamide?
The IUPAC name of 3-amino-4-methyl-N-(2-methyl-2-phenylpropyl)benzamide (CID 60987768) is 3-amino-4-methyl-N-(2-methyl-2-phenylpropyl)benzamide.
What is the SMILES notation for 3-amino-4-methyl-N-(2-methyl-2-phenylpropyl)benzamide?
The canonical SMILES for 3-amino-4-methyl-N-(2-methyl-2-phenylpropyl)benzamide is Cc1ccc(C(=O)NCC(C)(C)c2ccccc2)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-(2-methyl-2-phenylpropyl)benzamide?
The InChIKey is KGNVEFLBDRKURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-9-10-14(11-16(13)19)17(21)20-12-18(2,3)15-7-5-4-6-8-15/h4-11H,12,19H2,1-3H3,(H,20,21).
What are the key properties of 3-amino-4-methyl-N-(2-methyl-2-phenylpropyl)benzamide?
3-amino-4-methyl-N-(2-methyl-2-phenylpropyl)benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(2-methyl-2-phenylpropyl)benzamide is sourced from PubChem (CID 60987768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).