2-amino-4-methyl-3-(2-phenylethyl)benzamide

C16H18N2O — CID 18468730

IUPAC2-amino-4-methyl-3-(2-phenylethyl)benzamide
SMILESCc1ccc(C(N)=O)c(N)c1CCc1ccccc1
InChIInChI=1S/C16H18N2O/c1-11-7-9-14(16(18)19)15(17)13(11)10-8-12-5-3-2-4-6-12/h2-7,9H,8,10,17H2,1H3,(H2,18,19)
InChIKeyFXQODNYWYCABCG-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.46
Rot. Bonds4

About 2-amino-4-methyl-3-(2-phenylethyl)benzamide

2-amino-4-methyl-3-(2-phenylethyl)benzamide (PubChem CID 18468730) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-amino-4-methyl-3-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-amino-4-methyl-3-(2-phenylethyl)benzamide
PubChem CID18468730
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-amino-4-methyl-3-(2-phenylethyl)benzamide
SMILESCc1ccc(C(N)=O)c(N)c1CCc1ccccc1
InChIInChI=1S/C16H18N2O/c1-11-7-9-14(16(18)19)15(17)13(11)10-8-12-5-3-2-4-6-12/h2-7,9H,8,10,17H2,1H3,(H2,18,19)
InChIKeyFXQODNYWYCABCG-UHFFFAOYSA-N
XLogP2.46
TPSA69.11 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 ≤ 52.46
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

2,4-dimethyl-3-(2-phenylethyl)pyridin-1-ium-1-carboxamide chloride
CID 22168438
2,3-diethyl-4-(2-phenylethylamino)benzamide
CID 174426095
2-methyl-4-(2-phenylethyl)benzoic acid
CID 71133874
4-(2-phenylethyl)benzamide
CID 23130460
2,3-diaminobenzene-1,4-dicarboxamide
CID 142757766
4-(methylamino)-2-(2-phenylethyl)benzamide
CID 143158276
2,3,4-trimethyl-N-(2-phenylethyl)benzamide
CID 84533517
[3-methyl-2-(2-phenylethyl)phenyl] hydrogen carbonate
CID 168918761
3-amino-4-(4-methylpiperazin-1-yl)-2-(2-phenylethyl)benzoic acid
CID 174587698
3-benzyl-2-hydroxy-4-methylbenzoic acid
CID 122423561
2,3-dihexyl-4-methylbenzamide
CID 154326325
2,3,4-trimethylbenzamide;hydrochloride
CID 67157686

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-3-(2-phenylethyl)benzamide?
The IUPAC name of 2-amino-4-methyl-3-(2-phenylethyl)benzamide (CID 18468730) is 2-amino-4-methyl-3-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-amino-4-methyl-3-(2-phenylethyl)benzamide?
The canonical SMILES for 2-amino-4-methyl-3-(2-phenylethyl)benzamide is Cc1ccc(C(N)=O)c(N)c1CCc1ccccc1.
What is the InChIKey of 2-amino-4-methyl-3-(2-phenylethyl)benzamide?
The InChIKey is FXQODNYWYCABCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-7-9-14(16(18)19)15(17)13(11)10-8-12-5-3-2-4-6-12/h2-7,9H,8,10,17H2,1H3,(H2,18,19).
What are the key properties of 2-amino-4-methyl-3-(2-phenylethyl)benzamide?
2-amino-4-methyl-3-(2-phenylethyl)benzamide has a molecular weight of 254.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-3-(2-phenylethyl)benzamide is sourced from PubChem (CID 18468730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).