2-ethyl-N-[2-(4-methylpentan-2-yl)phenyl]benzamide

C21H27NO — CID 123240476

IUPAC2-ethyl-N-[2-(4-methylpentan-2-yl)phenyl]benzamide
SMILESCCc1ccccc1C(=O)Nc1ccccc1C(C)CC(C)C
InChIInChI=1S/C21H27NO/c1-5-17-10-6-7-12-19(17)21(23)22-20-13-9-8-11-18(20)16(4)14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,22,23)
InChIKeyYCZULPIGHMOGTL-UHFFFAOYSA-N
MW309.45 g/mol
LogP5.65
Rot. Bonds6

About 2-ethyl-N-[2-(4-methylpentan-2-yl)phenyl]benzamide

2-ethyl-N-[2-(4-methylpentan-2-yl)phenyl]benzamide (PubChem CID 123240476) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-ethyl-N-[2-(4-methylpentan-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(4-methylpentan-2-yl)phenyl]benzamide
PubChem CID123240476
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name2-ethyl-N-[2-(4-methylpentan-2-yl)phenyl]benzamide
SMILESCCc1ccccc1C(=O)Nc1ccccc1C(C)CC(C)C
InChIInChI=1S/C21H27NO/c1-5-17-10-6-7-12-19(17)21(23)22-20-13-9-8-11-18(20)16(4)14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,22,23)
InChIKeyYCZULPIGHMOGTL-UHFFFAOYSA-N
XLogP5.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-methylpentan-2-yl)phenyl]-1H-pyrrole-3-carboxamide
CID 141301148
5-fluoro-1-methyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide
CID 141244949
1-N,2-N-bis(2-ethylphenyl)benzene-1,2-dicarboxamide
CID 4151337
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
3-chloro-N-[2-(4-methylpentan-2-yl)phenyl]thiophene-2-carboxamide
CID 86048853
2-ethyl-N-[2-(2-methoxyethylamino)phenyl]benzamide
CID 99836686
N-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
CID 80710438
N-[2-[(2R)-butan-2-yl]phenyl]-2-ethoxypyridine-3-carboxamide
CID 7936129
3-amino-N-[2-[(2S)-butan-2-yl]phenyl]-2-methylbenzamide
CID 97030400
3-amino-N-(2-butan-2-ylphenyl)-2-methylbenzamide
CID 83775668
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
N-(2-ethylphenyl)-2-methylsulfanylbenzamide
CID 973960

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(4-methylpentan-2-yl)phenyl]benzamide?
The IUPAC name of 2-ethyl-N-[2-(4-methylpentan-2-yl)phenyl]benzamide (CID 123240476) is 2-ethyl-N-[2-(4-methylpentan-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-ethyl-N-[2-(4-methylpentan-2-yl)phenyl]benzamide?
The canonical SMILES for 2-ethyl-N-[2-(4-methylpentan-2-yl)phenyl]benzamide is CCc1ccccc1C(=O)Nc1ccccc1C(C)CC(C)C.
What is the InChIKey of 2-ethyl-N-[2-(4-methylpentan-2-yl)phenyl]benzamide?
The InChIKey is YCZULPIGHMOGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-5-17-10-6-7-12-19(17)21(23)22-20-13-9-8-11-18(20)16(4)14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,22,23).
What are the key properties of 2-ethyl-N-[2-(4-methylpentan-2-yl)phenyl]benzamide?
2-ethyl-N-[2-(4-methylpentan-2-yl)phenyl]benzamide has a molecular weight of 309.45 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(4-methylpentan-2-yl)phenyl]benzamide is sourced from PubChem (CID 123240476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).