N-[2-(N-ethyl-4-methylanilino)ethyl]-2,4-dimethylbenzamide

C20H26N2O — CID 100533680

IUPACN-[2-(N-ethyl-4-methylanilino)ethyl]-2,4-dimethylbenzamide
SMILESCCN(CCNC(=O)c1ccc(C)cc1C)c1ccc(C)cc1
InChIInChI=1S/C20H26N2O/c1-5-22(18-9-6-15(2)7-10-18)13-12-21-20(23)19-11-8-16(3)14-17(19)4/h6-11,14H,5,12-13H2,1-4H3,(H,21,23)
InChIKeyAEANHPATQJNWAW-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.87
Rot. Bonds6

About N-[2-(N-ethyl-4-methylanilino)ethyl]-2,4-dimethylbenzamide

N-[2-(N-ethyl-4-methylanilino)ethyl]-2,4-dimethylbenzamide (PubChem CID 100533680) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[2-(N-ethyl-4-methylanilino)ethyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-4-methylanilino)ethyl]-2,4-dimethylbenzamide
PubChem CID100533680
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-[2-(N-ethyl-4-methylanilino)ethyl]-2,4-dimethylbenzamide
SMILESCCN(CCNC(=O)c1ccc(C)cc1C)c1ccc(C)cc1
InChIInChI=1S/C20H26N2O/c1-5-22(18-9-6-15(2)7-10-18)13-12-21-20(23)19-11-8-16(3)14-17(19)4/h6-11,14H,5,12-13H2,1-4H3,(H,21,23)
InChIKeyAEANHPATQJNWAW-UHFFFAOYSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
CID 19656256
ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide
CID 178149105
2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 27823691
N-[2-(N,4-dimethylanilino)ethyl]-2-iodo-4-methylbenzamide
CID 100527914
N-(4-iodobutyl)-2,4-dimethylbenzamide
CID 106846408
N-(3-aminobutyl)-2,4-dimethylbenzamide
CID 63254051
N-(5-bromopentyl)-2,4-dimethylbenzamide
CID 107321862
ethyl 3-[2-(N-ethyl-4-methylanilino)ethylcarbamothioylamino]-4-methylbenzoate
CID 100753438
1-(2,4-dimethylphenyl)-2-(N-ethylanilino)ethanone
CID 21420194
2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide
CID 142825813
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methoxy-4-methylsulfanylbenzamide
CID 3730125
2-[2-[(2,4-dimethylbenzoyl)amino]ethoxy]acetic acid
CID 79456990

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-4-methylanilino)ethyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[2-(N-ethyl-4-methylanilino)ethyl]-2,4-dimethylbenzamide (CID 100533680) is N-[2-(N-ethyl-4-methylanilino)ethyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(N-ethyl-4-methylanilino)ethyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[2-(N-ethyl-4-methylanilino)ethyl]-2,4-dimethylbenzamide is CCN(CCNC(=O)c1ccc(C)cc1C)c1ccc(C)cc1.
What is the InChIKey of N-[2-(N-ethyl-4-methylanilino)ethyl]-2,4-dimethylbenzamide?
The InChIKey is AEANHPATQJNWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-5-22(18-9-6-15(2)7-10-18)13-12-21-20(23)19-11-8-16(3)14-17(19)4/h6-11,14H,5,12-13H2,1-4H3,(H,21,23).
What are the key properties of N-[2-(N-ethyl-4-methylanilino)ethyl]-2,4-dimethylbenzamide?
N-[2-(N-ethyl-4-methylanilino)ethyl]-2,4-dimethylbenzamide has a molecular weight of 310.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-4-methylanilino)ethyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 100533680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).