2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide

C16H18N2O — CID 30117627

IUPAC2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide
SMILESCc1cccc(C(=O)N[C@H](C)c2ccccc2)c1N
InChIInChI=1S/C16H18N2O/c1-11-7-6-10-14(15(11)17)16(19)18-12(2)13-8-4-3-5-9-13/h3-10,12H,17H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyLDKZTYFYALGMFP-GFCCVEGCSA-N
MW254.33 g/mol
LogP3.07
Rot. Bonds3

About 2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide

2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 30117627) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide
PubChem CID30117627
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide
SMILESCc1cccc(C(=O)N[C@H](C)c2ccccc2)c1N
InChIInChI=1S/C16H18N2O/c1-11-7-6-10-14(15(11)17)16(19)18-12(2)13-8-4-3-5-9-13/h3-10,12H,17H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyLDKZTYFYALGMFP-GFCCVEGCSA-N
XLogP3.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.07
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-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
2-amino-3-chloro-N-(1-phenylethyl)benzamide
CID 82546896
2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 67401935
2-amino-3-methyl-N-(1-thiophen-3-ylethyl)benzamide
CID 62842689
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 22396198
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 30386627
N-(1-phenylethyl)-2-sulfanylbenzamide
CID 113218601
3-amino-2-methoxy-N-[(1R)-1-phenylethyl]benzamide
CID 107863863
3-amino-2-methoxy-N-[(1S)-1-phenylethyl]benzamide
CID 107863919
2-amino-3-chloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 115540155

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide (CID 30117627) is 2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide is Cc1cccc(C(=O)N[C@H](C)c2ccccc2)c1N.
What is the InChIKey of 2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is LDKZTYFYALGMFP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-7-6-10-14(15(11)17)16(19)18-12(2)13-8-4-3-5-9-13/h3-10,12H,17H2,1-2H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide?
2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 254.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 30117627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).