4-amino-N,3-dimethyl-N-(1-phenylethyl)benzamide

C17H20N2O — CID 60939381

IUPAC4-amino-N,3-dimethyl-N-(1-phenylethyl)benzamide
SMILESCc1cc(C(=O)N(C)C(C)c2ccccc2)ccc1N
InChIInChI=1S/C17H20N2O/c1-12-11-15(9-10-16(12)18)17(20)19(3)13(2)14-7-5-4-6-8-14/h4-11,13H,18H2,1-3H3
InChIKeyNCNCONXLXKBBFF-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.41
Rot. Bonds3

About 4-amino-N,3-dimethyl-N-(1-phenylethyl)benzamide

4-amino-N,3-dimethyl-N-(1-phenylethyl)benzamide (PubChem CID 60939381) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-amino-N,3-dimethyl-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-amino-N,3-dimethyl-N-(1-phenylethyl)benzamide
PubChem CID60939381
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-amino-N,3-dimethyl-N-(1-phenylethyl)benzamide
SMILESCc1cc(C(=O)N(C)C(C)c2ccccc2)ccc1N
InChIInChI=1S/C17H20N2O/c1-12-11-15(9-10-16(12)18)17(20)19(3)13(2)14-7-5-4-6-8-14/h4-11,13H,18H2,1-3H3
InChIKeyNCNCONXLXKBBFF-UHFFFAOYSA-N
XLogP3.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,3-dimethyl-4-nitro-N-(1-phenylethyl)benzamide
CID 51188121
N,4-dimethyl-3-nitro-N-(1-phenylethyl)benzamide
CID 46564802
2-amino-5-methoxy-N-methyl-N-(1-phenylethyl)benzamide
CID 61112703
3-amino-4,5-dichloro-N-methyl-N-(1-phenylethyl)benzamide
CID 61113833
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26698316
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
N,2-dimethyl-N-(1-phenylethyl)benzamide
CID 78799210
N-methyl-N-(1-phenylethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 60939487
3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 61116655
3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide
CID 61139880
methyl(1-phenylethyl)carbamic acid
CID 67062794
3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 51547725

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,3-dimethyl-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-amino-N,3-dimethyl-N-(1-phenylethyl)benzamide (CID 60939381) is 4-amino-N,3-dimethyl-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-amino-N,3-dimethyl-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-amino-N,3-dimethyl-N-(1-phenylethyl)benzamide is Cc1cc(C(=O)N(C)C(C)c2ccccc2)ccc1N.
What is the InChIKey of 4-amino-N,3-dimethyl-N-(1-phenylethyl)benzamide?
The InChIKey is NCNCONXLXKBBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-11-15(9-10-16(12)18)17(20)19(3)13(2)14-7-5-4-6-8-14/h4-11,13H,18H2,1-3H3.
What are the key properties of 4-amino-N,3-dimethyl-N-(1-phenylethyl)benzamide?
4-amino-N,3-dimethyl-N-(1-phenylethyl)benzamide has a molecular weight of 268.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,3-dimethyl-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 60939381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).