4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide

C15H23NO2 — CID 113258694

IUPAC4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide
SMILESCCc1ccc(C(=O)NCC(O)CC(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-4-12-5-7-13(8-6-12)15(18)16-10-14(17)9-11(2)3/h5-8,11,14,17H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyMHXGEOLMWBJVKO-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.39
Rot. Bonds6

About 4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide

4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide (PubChem CID 113258694) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide
PubChem CID113258694
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide
SMILESCCc1ccc(C(=O)NCC(O)CC(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-4-12-5-7-13(8-6-12)15(18)16-10-14(17)9-11(2)3/h5-8,11,14,17H,4,9-10H2,1-3H3,(H,16,18)
InChIKeyMHXGEOLMWBJVKO-UHFFFAOYSA-N
XLogP2.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-4-methylpentyl)-4-(methylsulfanylmethyl)benzamide
CID 103771543
4-tert-butyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103771049
4-ethyl-N-(2-hydroperoxypropyl)benzamide
CID 163559021
3-chloro-N-(2-hydroxy-4-methylpentyl)-4-methylbenzamide
CID 103770930
N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide
CID 63294170
N-(2-hydroxy-4-methylpentyl)pyrimidine-5-carboxamide
CID 104629610
3,5-dichloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103770831
3-bromo-4-chloro-N-(2-hydroxy-4-methylpentyl)benzamide
CID 103842950
(2S)-2-[(4-ethylbenzoyl)amino]-4-methylpentanoic acid
CID 971688
N-(2-amino-3-ethylpentyl)-4-ethylbenzamide
CID 106286266
4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide
CID 95344832
N-(2-hydroxy-4-methylpentyl)-1,3-benzodioxole-5-carboxamide
CID 103771408

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide?
The IUPAC name of 4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide (CID 113258694) is 4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide.
What is the SMILES notation for 4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide?
The canonical SMILES for 4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide is CCc1ccc(C(=O)NCC(O)CC(C)C)cc1.
What is the InChIKey of 4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide?
The InChIKey is MHXGEOLMWBJVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-12-5-7-13(8-6-12)15(18)16-10-14(17)9-11(2)3/h5-8,11,14,17H,4,9-10H2,1-3H3,(H,16,18).
What are the key properties of 4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide?
4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide has a molecular weight of 249.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide is sourced from PubChem (CID 113258694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).