ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide

C15H25NO3 — CID 142472938

IUPACethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCC.CCOc1ccccc1C(=O)NCC(C)(C)O
InChIInChI=1S/C13H19NO3.C2H6/c1-4-17-11-8-6-5-7-10(11)12(15)14-9-13(2,3)16;1-2/h5-8,16H,4,9H2,1-3H3,(H,14,15);1-2H3
InChIKeyXUVYYLMQOIJLNP-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.61
Rot. Bonds5

About ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide

ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide (PubChem CID 142472938) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Nameethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide
PubChem CID142472938
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nameethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCC.CCOc1ccccc1C(=O)NCC(C)(C)O
InChIInChI=1S/C13H19NO3.C2H6/c1-4-17-11-8-6-5-7-10(11)12(15)14-9-13(2,3)16;1-2/h5-8,16H,4,9H2,1-3H3,(H,14,15);1-2H3
InChIKeyXUVYYLMQOIJLNP-UHFFFAOYSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-2,3-dimethylpentyl)benzamide
CID 111446636
2-ethoxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712220
N-(2-amino-2-ethylbutyl)-2-ethoxybenzamide
CID 81484030
2-ethoxy-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380671
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
CID 113462770
ethane;2-ethoxy-N-methylbenzamide
CID 142472808
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
2-ethoxy-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599488

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide?
The IUPAC name of ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide (CID 142472938) is ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide?
The canonical SMILES for ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide is CC.CCOc1ccccc1C(=O)NCC(C)(C)O.
What is the InChIKey of ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide?
The InChIKey is XUVYYLMQOIJLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3.C2H6/c1-4-17-11-8-6-5-7-10(11)12(15)14-9-13(2,3)16;1-2/h5-8,16H,4,9H2,1-3H3,(H,14,15);1-2H3.
What are the key properties of ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide?
ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide has a molecular weight of 267.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 142472938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).