3-amino-N-(4-butan-2-ylphenyl)benzamide

C17H20N2O — CID 20667037

IUPAC3-amino-N-(4-butan-2-ylphenyl)benzamide
SMILESCCC(C)c1ccc(NC(=O)c2cccc(N)c2)cc1
InChIInChI=1S/C17H20N2O/c1-3-12(2)13-7-9-16(10-8-13)19-17(20)14-5-4-6-15(18)11-14/h4-12H,3,18H2,1-2H3,(H,19,20)
InChIKeyGCPDLGAJYGPTOQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.03
Rot. Bonds4

About 3-amino-N-(4-butan-2-ylphenyl)benzamide

3-amino-N-(4-butan-2-ylphenyl)benzamide (PubChem CID 20667037) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-amino-N-(4-butan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(4-butan-2-ylphenyl)benzamide
PubChem CID20667037
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-amino-N-(4-butan-2-ylphenyl)benzamide
SMILESCCC(C)c1ccc(NC(=O)c2cccc(N)c2)cc1
InChIInChI=1S/C17H20N2O/c1-3-12(2)13-7-9-16(10-8-13)19-17(20)14-5-4-6-15(18)11-14/h4-12H,3,18H2,1-2H3,(H,19,20)
InChIKeyGCPDLGAJYGPTOQ-UHFFFAOYSA-N
XLogP4.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.03
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-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 5224241
N-(4-butan-2-ylphenyl)-3-(propanoylamino)benzamide
CID 17309567
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
4-(aminomethyl)-N-(4-butan-2-ylphenyl)benzamide
CID 43702118
N-[4-[(2R)-butan-2-yl]phenyl]-3-phenylmethoxybenzamide
CID 8778703
2-(aminomethyl)-N-(4-butan-2-ylphenyl)pyridine-4-carboxamide
CID 114325764
N-(4-butan-2-ylphenyl)-3,5-dichloro-4-hydroxybenzamide
CID 4850845
4-bromo-N-(4-butan-2-ylphenyl)benzamide
CID 2842671
N-(4-butan-2-ylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17226901
3-amino-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 43710565
3-amino-N-[(2S)-butan-2-yl]benzamide
CID 42427278
3-amino-N-(4-phenylphenyl)benzamide
CID 757806

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-butan-2-ylphenyl)benzamide?
The IUPAC name of 3-amino-N-(4-butan-2-ylphenyl)benzamide (CID 20667037) is 3-amino-N-(4-butan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-amino-N-(4-butan-2-ylphenyl)benzamide?
The canonical SMILES for 3-amino-N-(4-butan-2-ylphenyl)benzamide is CCC(C)c1ccc(NC(=O)c2cccc(N)c2)cc1.
What is the InChIKey of 3-amino-N-(4-butan-2-ylphenyl)benzamide?
The InChIKey is GCPDLGAJYGPTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-12(2)13-7-9-16(10-8-13)19-17(20)14-5-4-6-15(18)11-14/h4-12H,3,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-(4-butan-2-ylphenyl)benzamide?
3-amino-N-(4-butan-2-ylphenyl)benzamide has a molecular weight of 268.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-butan-2-ylphenyl)benzamide is sourced from PubChem (CID 20667037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).