N-(2-aminophenyl)-3-tert-butylbenzamide

C17H20N2O — CID 156733569

IUPACN-(2-aminophenyl)-3-tert-butylbenzamide
SMILESCC(C)(C)c1cccc(C(=O)Nc2ccccc2N)c1
InChIInChI=1S/C17H20N2O/c1-17(2,3)13-8-6-7-12(11-13)16(20)19-15-10-5-4-9-14(15)18/h4-11H,18H2,1-3H3,(H,19,20)
InChIKeyAAARLPSWDZOXOL-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.82
Rot. Bonds2

About N-(2-aminophenyl)-3-tert-butylbenzamide

N-(2-aminophenyl)-3-tert-butylbenzamide (PubChem CID 156733569) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-tert-butylbenzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-tert-butylbenzamide
PubChem CID156733569
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(2-aminophenyl)-3-tert-butylbenzamide
SMILESCC(C)(C)c1cccc(C(=O)Nc2ccccc2N)c1
InChIInChI=1S/C17H20N2O/c1-17(2,3)13-8-6-7-12(11-13)16(20)19-15-10-5-4-9-14(15)18/h4-11H,18H2,1-3H3,(H,19,20)
InChIKeyAAARLPSWDZOXOL-UHFFFAOYSA-N
XLogP3.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.82
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 58916411
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
4-acetamido-N-(2-aminophenyl)benzamide
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N-(2-aminophenyl)-4-bromo-3-hydroxybenzamide
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N-(2-aminophenyl)-3-fluoro-5-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-tert-butylbenzamide?
The IUPAC name of N-(2-aminophenyl)-3-tert-butylbenzamide (CID 156733569) is N-(2-aminophenyl)-3-tert-butylbenzamide.
What is the SMILES notation for N-(2-aminophenyl)-3-tert-butylbenzamide?
The canonical SMILES for N-(2-aminophenyl)-3-tert-butylbenzamide is CC(C)(C)c1cccc(C(=O)Nc2ccccc2N)c1.
What is the InChIKey of N-(2-aminophenyl)-3-tert-butylbenzamide?
The InChIKey is AAARLPSWDZOXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-17(2,3)13-8-6-7-12(11-13)16(20)19-15-10-5-4-9-14(15)18/h4-11H,18H2,1-3H3,(H,19,20).
What are the key properties of N-(2-aminophenyl)-3-tert-butylbenzamide?
N-(2-aminophenyl)-3-tert-butylbenzamide has a molecular weight of 268.36 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-tert-butylbenzamide is sourced from PubChem (CID 156733569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).