N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide

C18H22N2O — CID 58916411

IUPACN-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
SMILESCC(C)(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C18H22N2O/c1-18(2,3)12-13-8-10-14(11-9-13)17(21)20-16-7-5-4-6-15(16)19/h4-11H,12,19H2,1-3H3,(H,20,21)
InChIKeyNBAOMFRZMACNRZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.11
Rot. Bonds3

About N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide

N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide (PubChem CID 58916411) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
PubChem CID58916411
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
SMILESCC(C)(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C18H22N2O/c1-18(2,3)12-13-8-10-14(11-9-13)17(21)20-16-7-5-4-6-15(16)19/h4-11H,12,19H2,1-3H3,(H,20,21)
InChIKeyNBAOMFRZMACNRZ-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
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

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CID 11348920
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CID 155418611
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide?
The IUPAC name of N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide (CID 58916411) is N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide is CC(C)(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide?
The InChIKey is NBAOMFRZMACNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-18(2,3)12-13-8-10-14(11-9-13)17(21)20-16-7-5-4-6-15(16)19/h4-11H,12,19H2,1-3H3,(H,20,21).
What are the key properties of N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide?
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide has a molecular weight of 282.39 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide is sourced from PubChem (CID 58916411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).