N-[2-(2,4,6-trimethylanilino)ethyl]benzamide

C18H22N2O — CID 23573608

IUPACN-[2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCc1cc(C)c(NCCNC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C18H22N2O/c1-13-11-14(2)17(15(3)12-13)19-9-10-20-18(21)16-7-5-4-6-8-16/h4-8,11-12,19H,9-10H2,1-3H3,(H,20,21)
InChIKeyLZXROQRPXWLMCS-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.45
Rot. Bonds5

About N-[2-(2,4,6-trimethylanilino)ethyl]benzamide

N-[2-(2,4,6-trimethylanilino)ethyl]benzamide (PubChem CID 23573608) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[2-(2,4,6-trimethylanilino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(2,4,6-trimethylanilino)ethyl]benzamide
PubChem CID23573608
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCc1cc(C)c(NCCNC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C18H22N2O/c1-13-11-14(2)17(15(3)12-13)19-9-10-20-18(21)16-7-5-4-6-8-16/h4-8,11-12,19H,9-10H2,1-3H3,(H,20,21)
InChIKeyLZXROQRPXWLMCS-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 24663420
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
2-bromo-N-[3-(2,4,6-trimethylanilino)propyl]benzamide
CID 11047025
4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide
CID 684747
N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide
CID 36962711
4-methyl-N-[2-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]ethyl]benzamide
CID 10016631
N-[2-(methylcarbamoylamino)ethyl]benzamide
CID 47152136
N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 31658784
1-N-(3-methylbutyl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 109048639
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
N-[[5-(benzamidomethyl)-2,4-dimethylphenyl]methyl]benzamide
CID 154149793
N-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110292077

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4,6-trimethylanilino)ethyl]benzamide?
The IUPAC name of N-[2-(2,4,6-trimethylanilino)ethyl]benzamide (CID 23573608) is N-[2-(2,4,6-trimethylanilino)ethyl]benzamide.
What is the SMILES notation for N-[2-(2,4,6-trimethylanilino)ethyl]benzamide?
The canonical SMILES for N-[2-(2,4,6-trimethylanilino)ethyl]benzamide is Cc1cc(C)c(NCCNC(=O)c2ccccc2)c(C)c1.
What is the InChIKey of N-[2-(2,4,6-trimethylanilino)ethyl]benzamide?
The InChIKey is LZXROQRPXWLMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-11-14(2)17(15(3)12-13)19-9-10-20-18(21)16-7-5-4-6-8-16/h4-8,11-12,19H,9-10H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(2,4,6-trimethylanilino)ethyl]benzamide?
N-[2-(2,4,6-trimethylanilino)ethyl]benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4,6-trimethylanilino)ethyl]benzamide is sourced from PubChem (CID 23573608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).