2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide

C16H25NO3 — CID 111446636

IUPAC2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
SMILESCCOc1ccccc1C(=O)NCC(C)(O)C(C)CC
InChIInChI=1S/C16H25NO3/c1-5-12(3)16(4,19)11-17-15(18)13-9-7-8-10-14(13)20-6-2/h7-10,12,19H,5-6,11H2,1-4H3,(H,17,18)
InChIKeyXWXXFBOUISZQPQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.61
Rot. Bonds7

About 2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide

2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide (PubChem CID 111446636) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
PubChem CID111446636
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
SMILESCCOc1ccccc1C(=O)NCC(C)(O)C(C)CC
InChIInChI=1S/C16H25NO3/c1-5-12(3)16(4,19)11-17-15(18)13-9-7-8-10-14(13)20-6-2/h7-10,12,19H,5-6,11H2,1-4H3,(H,17,18)
InChIKeyXWXXFBOUISZQPQ-UHFFFAOYSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 142472938
2-ethoxy-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
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2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111925
N-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide
CID 115365704
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-ethoxybenzamide
CID 103840168
2-ethoxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712220
2-chloro-N-[(2R,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide
CID 95987001
N-(2-amino-2-ethylbutyl)-2-ethoxybenzamide
CID 81484030
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
CID 113462770
N-[(2S)-3,3-dimethyl-2-methylsulfanylbutyl]-2-ethoxybenzamide
CID 97350853
2-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methylbenzamide
CID 109399368

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide?
The IUPAC name of 2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide (CID 111446636) is 2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide?
The canonical SMILES for 2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide is CCOc1ccccc1C(=O)NCC(C)(O)C(C)CC.
What is the InChIKey of 2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide?
The InChIKey is XWXXFBOUISZQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-12(3)16(4,19)11-17-15(18)13-9-7-8-10-14(13)20-6-2/h7-10,12,19H,5-6,11H2,1-4H3,(H,17,18).
What are the key properties of 2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide?
2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide has a molecular weight of 279.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide is sourced from PubChem (CID 111446636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).