2,3,4-trimethyl-N-(2-phenylethyl)benzamide

C18H21NO — CID 84533517

IUPAC2,3,4-trimethyl-N-(2-phenylethyl)benzamide
SMILESCc1ccc(C(=O)NCCc2ccccc2)c(C)c1C
InChIInChI=1S/C18H21NO/c1-13-9-10-17(15(3)14(13)2)18(20)19-12-11-16-7-5-4-6-8-16/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyWCVQFAKYIOOMMY-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.58
Rot. Bonds4

About 2,3,4-trimethyl-N-(2-phenylethyl)benzamide

2,3,4-trimethyl-N-(2-phenylethyl)benzamide (PubChem CID 84533517) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2,3,4-trimethyl-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2,3,4-trimethyl-N-(2-phenylethyl)benzamide
PubChem CID84533517
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2,3,4-trimethyl-N-(2-phenylethyl)benzamide
SMILESCc1ccc(C(=O)NCCc2ccccc2)c(C)c1C
InChIInChI=1S/C18H21NO/c1-13-9-10-17(15(3)14(13)2)18(20)19-12-11-16-7-5-4-6-8-16/h4-10H,11-12H2,1-3H3,(H,19,20)
InChIKeyWCVQFAKYIOOMMY-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
2,3-dihydroxy-N-(2-phenylethyl)benzamide
CID 22895318
5-amino-2,4-dimethyl-N-(2-phenylethyl)benzamide
CID 102704827
2-iodo-4-methyl-N-(2-phenylethyl)benzamide
CID 100523119
methyl 2-(2-phenylethylcarbamoyl)benzoate
CID 23935800
N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 26463015
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
2,4-dihydroxy-N-(2-phenylethyl)benzamide
CID 103600168
2-amino-5-methyl-N-(2-phenylethyl)benzamide
CID 62073277
N-(2-phenylethyl)-2-[[2-(2-phenylethylcarbamoyl)phenyl]diselanyl]benzamide
CID 118716205
4-[[ethyl(methyl)amino]methylideneamino]-2,3,5-trimethyl-N-(2-phenylethyl)benzamide
CID 174172980
molecular hydrogen;2-phenylethylcarbamic acid
CID 145072858

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-N-(2-phenylethyl)benzamide?
The IUPAC name of 2,3,4-trimethyl-N-(2-phenylethyl)benzamide (CID 84533517) is 2,3,4-trimethyl-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2,3,4-trimethyl-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2,3,4-trimethyl-N-(2-phenylethyl)benzamide is Cc1ccc(C(=O)NCCc2ccccc2)c(C)c1C.
What is the InChIKey of 2,3,4-trimethyl-N-(2-phenylethyl)benzamide?
The InChIKey is WCVQFAKYIOOMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-9-10-17(15(3)14(13)2)18(20)19-12-11-16-7-5-4-6-8-16/h4-10H,11-12H2,1-3H3,(H,19,20).
What are the key properties of 2,3,4-trimethyl-N-(2-phenylethyl)benzamide?
2,3,4-trimethyl-N-(2-phenylethyl)benzamide has a molecular weight of 267.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 84533517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).