4-ethyl-N-(4-hydroxypentan-2-yl)benzamide

C14H21NO2 — CID 113376576

IUPAC4-ethyl-N-(4-hydroxypentan-2-yl)benzamide
SMILESCCc1ccc(C(=O)NC(C)CC(C)O)cc1
InChIInChI=1S/C14H21NO2/c1-4-12-5-7-13(8-6-12)14(17)15-10(2)9-11(3)16/h5-8,10-11,16H,4,9H2,1-3H3,(H,15,17)
InChIKeyFHOJAAGNKKWVKX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.14
Rot. Bonds5

About 4-ethyl-N-(4-hydroxypentan-2-yl)benzamide

4-ethyl-N-(4-hydroxypentan-2-yl)benzamide (PubChem CID 113376576) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-ethyl-N-(4-hydroxypentan-2-yl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-(4-hydroxypentan-2-yl)benzamide
PubChem CID113376576
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-ethyl-N-(4-hydroxypentan-2-yl)benzamide
SMILESCCc1ccc(C(=O)NC(C)CC(C)O)cc1
InChIInChI=1S/C14H21NO2/c1-4-12-5-7-13(8-6-12)14(17)15-10(2)9-11(3)16/h5-8,10-11,16H,4,9H2,1-3H3,(H,15,17)
InChIKeyFHOJAAGNKKWVKX-UHFFFAOYSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-1-oxopropan-2-yl)-4-ethylbenzamide
CID 134045614
(2S)-2-[(4-ethylbenzoyl)amino]-4-methylpentanoic acid
CID 971688
(2S)-2-[(4-ethylbenzoyl)amino]-3-methylbutanoate
CID 6968937
N-butan-2-yl-4-(sulfanylmethyl)benzamide
CID 156809671
4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
CID 30046782
3,5-difluoro-N-[(2R,4R)-4-hydroxypentan-2-yl]benzamide
CID 97350116
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 113258694
4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 836976
4-(bromomethyl)-N-pentan-2-ylbenzamide
CID 102850779
N-(1-chloro-4-methylpentan-3-yl)-4-ethylbenzamide
CID 114177682
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide
CID 95356330

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-hydroxypentan-2-yl)benzamide?
The IUPAC name of 4-ethyl-N-(4-hydroxypentan-2-yl)benzamide (CID 113376576) is 4-ethyl-N-(4-hydroxypentan-2-yl)benzamide.
What is the SMILES notation for 4-ethyl-N-(4-hydroxypentan-2-yl)benzamide?
The canonical SMILES for 4-ethyl-N-(4-hydroxypentan-2-yl)benzamide is CCc1ccc(C(=O)NC(C)CC(C)O)cc1.
What is the InChIKey of 4-ethyl-N-(4-hydroxypentan-2-yl)benzamide?
The InChIKey is FHOJAAGNKKWVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-12-5-7-13(8-6-12)14(17)15-10(2)9-11(3)16/h5-8,10-11,16H,4,9H2,1-3H3,(H,15,17).
What are the key properties of 4-ethyl-N-(4-hydroxypentan-2-yl)benzamide?
4-ethyl-N-(4-hydroxypentan-2-yl)benzamide has a molecular weight of 235.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(4-hydroxypentan-2-yl)benzamide is sourced from PubChem (CID 113376576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).