3-amino-N-(2,2-dimethyl-1-phenylpropyl)benzamide

C18H22N2O — CID 43705350

IUPAC3-amino-N-(2,2-dimethyl-1-phenylpropyl)benzamide
SMILESCC(C)(C)C(NC(=O)c1cccc(N)c1)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-18(2,3)16(13-8-5-4-6-9-13)20-17(21)14-10-7-11-15(19)12-14/h4-12,16H,19H2,1-3H3,(H,20,21)
InChIKeyZLYIALJFYJEZRP-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.79
Rot. Bonds3

About 3-amino-N-(2,2-dimethyl-1-phenylpropyl)benzamide

3-amino-N-(2,2-dimethyl-1-phenylpropyl)benzamide (PubChem CID 43705350) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-amino-N-(2,2-dimethyl-1-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(2,2-dimethyl-1-phenylpropyl)benzamide
PubChem CID43705350
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-amino-N-(2,2-dimethyl-1-phenylpropyl)benzamide
SMILESCC(C)(C)C(NC(=O)c1cccc(N)c1)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-18(2,3)16(13-8-5-4-6-9-13)20-17(21)14-10-7-11-15(19)12-14/h4-12,16H,19H2,1-3H3,(H,20,21)
InChIKeyZLYIALJFYJEZRP-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
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

N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide
CID 63523704
3-amino-N-[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]benzamide
CID 119816053
N-[1-(3-aminophenyl)ethyl]benzamide
CID 43297605
3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride
CID 119689331
3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347915
4-chloro-N-(2,2-dimethyl-1-phenylpropyl)-3-methylsulfonylbenzamide
CID 55643084
5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-3-carboxamide
CID 63523884
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
CID 112687729
methyl (2S)-2-[(3-aminobenzoyl)amino]-3-methylbutanoate
CID 61142781
3-amino-N-[(2S)-butan-2-yl]benzamide
CID 42427278
3-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 43704006

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-dimethyl-1-phenylpropyl)benzamide?
The IUPAC name of 3-amino-N-(2,2-dimethyl-1-phenylpropyl)benzamide (CID 43705350) is 3-amino-N-(2,2-dimethyl-1-phenylpropyl)benzamide.
What is the SMILES notation for 3-amino-N-(2,2-dimethyl-1-phenylpropyl)benzamide?
The canonical SMILES for 3-amino-N-(2,2-dimethyl-1-phenylpropyl)benzamide is CC(C)(C)C(NC(=O)c1cccc(N)c1)c1ccccc1.
What is the InChIKey of 3-amino-N-(2,2-dimethyl-1-phenylpropyl)benzamide?
The InChIKey is ZLYIALJFYJEZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-18(2,3)16(13-8-5-4-6-9-13)20-17(21)14-10-7-11-15(19)12-14/h4-12,16H,19H2,1-3H3,(H,20,21).
What are the key properties of 3-amino-N-(2,2-dimethyl-1-phenylpropyl)benzamide?
3-amino-N-(2,2-dimethyl-1-phenylpropyl)benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.79, 3 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-1-phenylpropyl)benzamide is sourced from PubChem (CID 43705350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).