2,3,4,5,6-pentamethyl-N-phenylbenzamide

C18H21NO — CID 60629319

IUPAC2,3,4,5,6-pentamethyl-N-phenylbenzamide
SMILESCc1c(C)c(C)c(C(=O)Nc2ccccc2)c(C)c1C
InChIInChI=1S/C18H21NO/c1-11-12(2)14(4)17(15(5)13(11)3)18(20)19-16-9-7-6-8-10-16/h6-10H,1-5H3,(H,19,20)
InChIKeyKRSVKGQJTZTSSW-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.48
Rot. Bonds2

About 2,3,4,5,6-pentamethyl-N-phenylbenzamide

2,3,4,5,6-pentamethyl-N-phenylbenzamide (PubChem CID 60629319) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-N-phenylbenzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-N-phenylbenzamide
PubChem CID60629319
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2,3,4,5,6-pentamethyl-N-phenylbenzamide
SMILESCc1c(C)c(C)c(C(=O)Nc2ccccc2)c(C)c1C
InChIInChI=1S/C18H21NO/c1-11-12(2)14(4)17(15(5)13(11)3)18(20)19-16-9-7-6-8-10-16/h6-10H,1-5H3,(H,19,20)
InChIKeyKRSVKGQJTZTSSW-UHFFFAOYSA-N
XLogP4.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2,3,4,5,6-pentamethylbenzamide
CID 2250223
3-amino-6-chloro-2-methyl-N-phenylbenzamide
CID 86676286
2,5-bis(4-methylphenyl)-3-N,4-N-diphenylfuran-3,4-dicarboxamide
CID 10576901
4-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 24951306
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
4,5-dimethyl-N-phenylthiophene-3-carboxamide
CID 3475307
2,4,6-trichloro-N-phenylbenzamide
CID 68933625
1-N,5-N,2,4,6-pentamethyl-3-N-(4-methylphenyl)benzene-1,3,5-tricarboxamide
CID 146600216
cobalt;N-phenylacetamide
CID 158689050
5-acetyl-2,4-dihydroxy-6-oxo-N-phenylpyran-3-carboxamide
CID 136610051
4-chloro-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide
CID 11748395
4-anilino-1,3-dimethyl-2,6-dioxo-N-phenylpyrimidine-5-carboxamide
CID 11727816

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethyl-N-phenylbenzamide?
The IUPAC name of 2,3,4,5,6-pentamethyl-N-phenylbenzamide (CID 60629319) is 2,3,4,5,6-pentamethyl-N-phenylbenzamide.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-N-phenylbenzamide?
The canonical SMILES for 2,3,4,5,6-pentamethyl-N-phenylbenzamide is Cc1c(C)c(C)c(C(=O)Nc2ccccc2)c(C)c1C.
What is the InChIKey of 2,3,4,5,6-pentamethyl-N-phenylbenzamide?
The InChIKey is KRSVKGQJTZTSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-11-12(2)14(4)17(15(5)13(11)3)18(20)19-16-9-7-6-8-10-16/h6-10H,1-5H3,(H,19,20).
What are the key properties of 2,3,4,5,6-pentamethyl-N-phenylbenzamide?
2,3,4,5,6-pentamethyl-N-phenylbenzamide has a molecular weight of 267.37 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-N-phenylbenzamide is sourced from PubChem (CID 60629319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).