4-amino-3-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide

C17H20N2O — CID 81361437

IUPAC4-amino-3-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide
SMILESCc1cccc([C@@H](C)NC(=O)c2ccc(N)c(C)c2)c1
InChIInChI=1S/C17H20N2O/c1-11-5-4-6-14(9-11)13(3)19-17(20)15-7-8-16(18)12(2)10-15/h4-10,13H,18H2,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyHCXHQVINAOQHQT-CYBMUJFWSA-N
MW268.36 g/mol
LogP3.38
Rot. Bonds3

About 4-amino-3-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide

4-amino-3-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide (PubChem CID 81361437) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide
PubChem CID81361437
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-amino-3-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide
SMILESCc1cccc([C@@H](C)NC(=O)c2ccc(N)c(C)c2)c1
InChIInChI=1S/C17H20N2O/c1-11-5-4-6-14(9-11)13(3)19-17(20)15-7-8-16(18)12(2)10-15/h4-10,13H,18H2,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyHCXHQVINAOQHQT-CYBMUJFWSA-N
XLogP3.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.38
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

4-amino-3-bromo-N-[(1S)-1-(3-methylphenyl)ethyl]benzamide
CID 81360914
4-amino-3-chloro-N-[(1S)-1-(3-methylphenyl)ethyl]benzamide
CID 81360388
4-amino-3-fluoro-N-[(1S)-1-(3-methylphenyl)ethyl]benzamide
CID 81360739
4-amino-N-[1-(3-bromophenyl)ethyl]-3-methylbenzamide
CID 43699110
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-methylbenzamide
CID 81371582
3-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-4-methylbenzamide
CID 81376337
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-methylbenzamide
CID 61249263
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide
CID 43713071
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylbenzamide
CID 81366044
4-amino-3-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372627
4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372128

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-amino-3-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide (CID 81361437) is 4-amino-3-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-amino-3-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-amino-3-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide is Cc1cccc([C@@H](C)NC(=O)c2ccc(N)c(C)c2)c1.
What is the InChIKey of 4-amino-3-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide?
The InChIKey is HCXHQVINAOQHQT-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-5-4-6-14(9-11)13(3)19-17(20)15-7-8-16(18)12(2)10-15/h4-10,13H,18H2,1-3H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 4-amino-3-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide?
4-amino-3-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide has a molecular weight of 268.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 81361437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).