2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide

C18H21NO3 — CID 121111925

IUPAC2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide
SMILESCCOc1ccccc1C(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-3-22-16-12-8-7-11-15(16)17(20)19-13-18(2,21)14-9-5-4-6-10-14/h4-12,21H,3,13H2,1-2H3,(H,19,20)
InChIKeyRAJYJOJDYWZKLQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.72
Rot. Bonds6

About 2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide

2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide (PubChem CID 121111925) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide
PubChem CID121111925
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide
SMILESCCOc1ccccc1C(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-3-22-16-12-8-7-11-15(16)17(20)19-13-18(2,21)14-9-5-4-6-10-14/h4-12,21H,3,13H2,1-2H3,(H,19,20)
InChIKeyRAJYJOJDYWZKLQ-UHFFFAOYSA-N
XLogP2.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.72
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
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-ethoxybenzamide
CID 90497702
N-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide
CID 115365704
2-ethoxy-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599488
2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111446636
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-ethoxybenzamide
CID 103840168
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-hydroxy-2-phenylpropyl)-2-methylbenzamide
CID 110663960
N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
CID 113462770

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide?
The IUPAC name of 2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide (CID 121111925) is 2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide?
The canonical SMILES for 2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide is CCOc1ccccc1C(=O)NCC(C)(O)c1ccccc1.
What is the InChIKey of 2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide?
The InChIKey is RAJYJOJDYWZKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-22-16-12-8-7-11-15(16)17(20)19-13-18(2,21)14-9-5-4-6-10-14/h4-12,21H,3,13H2,1-2H3,(H,19,20).
What are the key properties of 2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide?
2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide has a molecular weight of 299.37 g/mol, XLogP of 2.72, 6 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-phenylpropyl)benzamide is sourced from PubChem (CID 121111925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).