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

C17H20N2O — CID 60939211

IUPAC3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCCN(Cc1cccc(C)c1)C(=O)c1cccc(N)c1
InChIInChI=1S/C17H20N2O/c1-3-19(12-14-7-4-6-13(2)10-14)17(20)15-8-5-9-16(18)11-15/h4-11H,3,12,18H2,1-2H3
InChIKeyICRMWMNJIZBCMD-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.24
Rot. Bonds4

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

3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 60939211) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
PubChem CID60939211
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCCN(Cc1cccc(C)c1)C(=O)c1cccc(N)c1
InChIInChI=1S/C17H20N2O/c1-3-19(12-14-7-4-6-13(2)10-14)17(20)15-8-5-9-16(18)11-15/h4-11H,3,12,18H2,1-2H3
InChIKeyICRMWMNJIZBCMD-UHFFFAOYSA-N
XLogP3.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.24
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

3-amino-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939220
3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 54905832
N-[(3-aminophenyl)methyl]-N-ethylpyrimidine-5-carboxamide
CID 102921247
N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 43459023
N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide
CID 43458930
N-[(3-aminophenyl)methyl]-N-ethyl-3,4-difluorobenzamide
CID 43458956
N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
CID 43458950
N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluorobenzamide
CID 43458961
4-amino-N-ethyl-5-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 61105975
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 60940215
N-[(3-aminophenyl)methyl]-N-ethyl-6-methylpyridine-3-carboxamide
CID 43458991

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide (CID 60939211) is 3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide is CCN(Cc1cccc(C)c1)C(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is ICRMWMNJIZBCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-19(12-14-7-4-6-13(2)10-14)17(20)15-8-5-9-16(18)11-15/h4-11H,3,12,18H2,1-2H3.
What are the key properties of 3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide?
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 268.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 60939211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).