2-amino-N-[(4-ethylphenyl)methyl]-N,3-dimethylbenzamide

C18H22N2O — CID 43401472

IUPAC2-amino-N-[(4-ethylphenyl)methyl]-N,3-dimethylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2cccc(C)c2N)cc1
InChIInChI=1S/C18H22N2O/c1-4-14-8-10-15(11-9-14)12-20(3)18(21)16-7-5-6-13(2)17(16)19/h5-11H,4,12,19H2,1-3H3
InChIKeyGRPXHOSTQYGMHU-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.41
Rot. Bonds4

About 2-amino-N-[(4-ethylphenyl)methyl]-N,3-dimethylbenzamide

2-amino-N-[(4-ethylphenyl)methyl]-N,3-dimethylbenzamide (PubChem CID 43401472) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-amino-N-[(4-ethylphenyl)methyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name2-amino-N-[(4-ethylphenyl)methyl]-N,3-dimethylbenzamide
PubChem CID43401472
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-amino-N-[(4-ethylphenyl)methyl]-N,3-dimethylbenzamide
SMILESCCc1ccc(CN(C)C(=O)c2cccc(C)c2N)cc1
InChIInChI=1S/C18H22N2O/c1-4-14-8-10-15(11-9-14)12-20(3)18(21)16-7-5-6-13(2)17(16)19/h5-11H,4,12,19H2,1-3H3
InChIKeyGRPXHOSTQYGMHU-UHFFFAOYSA-N
XLogP3.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
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

2-amino-N,3-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 28798437
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylbenzamide
CID 60682669
3-amino-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 115930176
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,3-dimethylbenzamide
CID 81479696
2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 80718972
2-amino-N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylbenzamide
CID 61109461
N-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82827016
N-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide
CID 43908097
5-amino-N-[(4-ethylphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 43587026
2-amino-3-fluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 62661751
2-amino-N-cyclopropyl-N,3-dimethylbenzamide
CID 43264479
2-amino-3-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62662222

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-ethylphenyl)methyl]-N,3-dimethylbenzamide?
The IUPAC name of 2-amino-N-[(4-ethylphenyl)methyl]-N,3-dimethylbenzamide (CID 43401472) is 2-amino-N-[(4-ethylphenyl)methyl]-N,3-dimethylbenzamide.
What is the SMILES notation for 2-amino-N-[(4-ethylphenyl)methyl]-N,3-dimethylbenzamide?
The canonical SMILES for 2-amino-N-[(4-ethylphenyl)methyl]-N,3-dimethylbenzamide is CCc1ccc(CN(C)C(=O)c2cccc(C)c2N)cc1.
What is the InChIKey of 2-amino-N-[(4-ethylphenyl)methyl]-N,3-dimethylbenzamide?
The InChIKey is GRPXHOSTQYGMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-14-8-10-15(11-9-14)12-20(3)18(21)16-7-5-6-13(2)17(16)19/h5-11H,4,12,19H2,1-3H3.
What are the key properties of 2-amino-N-[(4-ethylphenyl)methyl]-N,3-dimethylbenzamide?
2-amino-N-[(4-ethylphenyl)methyl]-N,3-dimethylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-ethylphenyl)methyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 43401472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).