4-amino-N-(1-phenylpropan-2-yl)benzamide

C16H18N2O — CID 2845137

IUPAC4-amino-N-(1-phenylpropan-2-yl)benzamide
SMILESCC(Cc1ccccc1)NC(=O)c1ccc(N)cc1
InChIInChI=1S/C16H18N2O/c1-12(11-13-5-3-2-4-6-13)18-16(19)14-7-9-15(17)10-8-14/h2-10,12H,11,17H2,1H3,(H,18,19)
InChIKeyJJFYKCMGTKSTMT-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.63
Rot. Bonds4

About 4-amino-N-(1-phenylpropan-2-yl)benzamide

4-amino-N-(1-phenylpropan-2-yl)benzamide (PubChem CID 2845137) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-amino-N-(1-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-N-(1-phenylpropan-2-yl)benzamide
PubChem CID2845137
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-amino-N-(1-phenylpropan-2-yl)benzamide
SMILESCC(Cc1ccccc1)NC(=O)c1ccc(N)cc1
InChIInChI=1S/C16H18N2O/c1-12(11-13-5-3-2-4-6-13)18-16(19)14-7-9-15(17)10-8-14/h2-10,12H,11,17H2,1H3,(H,18,19)
InChIKeyJJFYKCMGTKSTMT-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-phenylpropan-2-yl)benzamide?
The IUPAC name of 4-amino-N-(1-phenylpropan-2-yl)benzamide (CID 2845137) is 4-amino-N-(1-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 4-amino-N-(1-phenylpropan-2-yl)benzamide?
The canonical SMILES for 4-amino-N-(1-phenylpropan-2-yl)benzamide is CC(Cc1ccccc1)NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(1-phenylpropan-2-yl)benzamide?
The InChIKey is JJFYKCMGTKSTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12(11-13-5-3-2-4-6-13)18-16(19)14-7-9-15(17)10-8-14/h2-10,12H,11,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-(1-phenylpropan-2-yl)benzamide?
4-amino-N-(1-phenylpropan-2-yl)benzamide has a molecular weight of 254.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 2845137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).