N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide

C18H22N2O — CID 43458950

IUPACN-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
SMILESCCN(Cc1cccc(N)c1)C(=O)c1cc(C)ccc1C
InChIInChI=1S/C18H22N2O/c1-4-20(12-15-6-5-7-16(19)11-15)18(21)17-10-13(2)8-9-14(17)3/h5-11H,4,12,19H2,1-3H3
InChIKeyMZROUXLXIUEEDS-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.55
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide

N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide (PubChem CID 43458950) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
PubChem CID43458950
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
SMILESCCN(Cc1cccc(N)c1)C(=O)c1cc(C)ccc1C
InChIInChI=1S/C18H22N2O/c1-4-20(12-15-6-5-7-16(19)11-15)18(21)17-10-13(2)8-9-14(17)3/h5-11H,4,12,19H2,1-3H3
InChIKeyMZROUXLXIUEEDS-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
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

N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide
CID 43459006
N-[(4-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
CID 43458688
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
N-[(3-aminophenyl)methyl]-2-chloro-N-ethyl-5-hydroxybenzamide
CID 106500076
N-[(3-aminophenyl)methyl]-N-ethyl-3-methylpyridine-2-carboxamide
CID 62340614
N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 43459023
N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide
CID 43458930
N-[(4-aminophenyl)methyl]-N-ethyl-2-hydroxy-5-methylbenzamide
CID 43458696
N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluorobenzamide
CID 43458961
N-[(3-aminophenyl)methyl]-N-ethyl-3-fluoropyridine-4-carboxamide
CID 64948867
N-[(3-aminophenyl)methyl]-3-chloro-N-ethyl-4-methylthiophene-2-carboxamide
CID 103399805

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide (CID 43458950) is N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide is CCN(Cc1cccc(N)c1)C(=O)c1cc(C)ccc1C.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide?
The InChIKey is MZROUXLXIUEEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-20(12-15-6-5-7-16(19)11-15)18(21)17-10-13(2)8-9-14(17)3/h5-11H,4,12,19H2,1-3H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide?
N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide is sourced from PubChem (CID 43458950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).