N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide

C17H20N2O — CID 43458748

IUPACN-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide
SMILESCCN(Cc1ccc(N)cc1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C17H20N2O/c1-3-19(12-14-6-10-16(18)11-7-14)17(20)15-8-4-13(2)5-9-15/h4-11H,3,12,18H2,1-2H3
InChIKeyRCGINHYTXARSSO-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.24
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide

N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide (PubChem CID 43458748) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide
PubChem CID43458748
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide
SMILESCCN(Cc1ccc(N)cc1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C17H20N2O/c1-3-19(12-14-6-10-16(18)11-7-14)17(20)15-8-4-13(2)5-9-15/h4-11H,3,12,18H2,1-2H3
InChIKeyRCGINHYTXARSSO-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
CID 43458688
N-[(4-aminophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide
CID 43458696
N-[(4-aminophenyl)methyl]-3-bromo-N-ethyl-4-fluorobenzamide
CID 107948752
N-[(4-aminophenyl)methyl]-N-ethyl-5-methylthiophene-2-carboxamide
CID 43458689
N-[(4-aminophenyl)methyl]-N-ethyl-3-hydroxy-2-methylbenzamide
CID 82809597
N-[(4-aminophenyl)methyl]-N-ethyl-6-methylpyridine-2-carboxamide
CID 43458715
N-[(4-aminophenyl)methyl]-N-ethyl-5-fluoropyridine-3-carboxamide
CID 104785376
N-[(3-bromophenyl)methyl]-N-ethyl-4-methylbenzamide
CID 91416066
N-[(4-aminophenyl)methyl]-N-ethyl-3-methylpyridine-2-carboxamide
CID 62340438
4-amino-N-ethyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119732301
4-amino-N-(cyclopropylmethyl)-N-ethylbenzamide
CID 63956122
4-[[[2-amino-2-(4-methylphenyl)acetyl]-ethylamino]methyl]-N,N-dimethylbenzamide;hydrochloride
CID 120668279

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide (CID 43458748) is N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide is CCN(Cc1ccc(N)cc1)C(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide?
The InChIKey is RCGINHYTXARSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-19(12-14-6-10-16(18)11-7-14)17(20)15-8-4-13(2)5-9-15/h4-11H,3,12,18H2,1-2H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide?
N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide 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 N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide is sourced from PubChem (CID 43458748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).