3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide

C18H22N2O — CID 119794357

IUPAC3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1cccc(N)c1)Cc1ccccc1
InChIInChI=1S/C18H22N2O/c1-18(2,12-14-7-4-3-5-8-14)13-20-17(21)15-9-6-10-16(19)11-15/h3-11H,12-13,19H2,1-2H3,(H,20,21)
InChIKeyGLXKBKIJONDUMA-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.27
Rot. Bonds5

About 3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide

3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide (PubChem CID 119794357) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide
PubChem CID119794357
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1cccc(N)c1)Cc1ccccc1
InChIInChI=1S/C18H22N2O/c1-18(2,12-14-7-4-3-5-8-14)13-20-17(21)15-9-6-10-16(19)11-15/h3-11H,12-13,19H2,1-2H3,(H,20,21)
InChIKeyGLXKBKIJONDUMA-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.27
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-amino-N-(2,2-dimethylbutyl)benzamide
CID 103459945
3-[(3-aminobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 115427957
3-amino-N-(2-methoxy-2-methylpropyl)benzamide
CID 115739688
3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride
CID 119830617
3-amino-N-[2-methyl-2-(2-methylphenyl)propyl]benzamide;hydrochloride
CID 119756892
3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249245
2-amino-N-(2,2-dimethyl-3-phenylpropyl)acetamide
CID 119329644
3-amino-N-[2-(2,2-dimethylpropanoylamino)ethyl]benzamide
CID 119763189
3-amino-N-(4-phenylbutyl)benzamide;hydrochloride
CID 19353694
3-amino-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]benzamide
CID 119771428
tert-butyl 2-[(3-aminobenzoyl)amino]acetate
CID 20745560
[3-[[(3-aminobenzoyl)amino]methyl]phenyl]-tert-butylcarbamic acid
CID 66880480

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide?
The IUPAC name of 3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide (CID 119794357) is 3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide.
What is the SMILES notation for 3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide?
The canonical SMILES for 3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide is CC(C)(CNC(=O)c1cccc(N)c1)Cc1ccccc1.
What is the InChIKey of 3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide?
The InChIKey is GLXKBKIJONDUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-18(2,12-14-7-4-3-5-8-14)13-20-17(21)15-9-6-10-16(19)11-15/h3-11H,12-13,19H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide?
3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-dimethyl-3-phenylpropyl)benzamide is sourced from PubChem (CID 119794357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).