2-ethoxy-N-(2-methoxy-2-phenylbutyl)benzamide

C20H25NO3 — CID 90599488

IUPAC2-ethoxy-N-(2-methoxy-2-phenylbutyl)benzamide
SMILESCCOc1ccccc1C(=O)NCC(CC)(OC)c1ccccc1
InChIInChI=1S/C20H25NO3/c1-4-20(23-3,16-11-7-6-8-12-16)15-21-19(22)17-13-9-10-14-18(17)24-5-2/h6-14H,4-5,15H2,1-3H3,(H,21,22)
InChIKeyMBDWTZHFFCHQFE-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.77
Rot. Bonds8

About 2-ethoxy-N-(2-methoxy-2-phenylbutyl)benzamide

2-ethoxy-N-(2-methoxy-2-phenylbutyl)benzamide (PubChem CID 90599488) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-ethoxy-N-(2-methoxy-2-phenylbutyl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(2-methoxy-2-phenylbutyl)benzamide
PubChem CID90599488
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-ethoxy-N-(2-methoxy-2-phenylbutyl)benzamide
SMILESCCOc1ccccc1C(=O)NCC(CC)(OC)c1ccccc1
InChIInChI=1S/C20H25NO3/c1-4-20(23-3,16-11-7-6-8-12-16)15-21-19(22)17-13-9-10-14-18(17)24-5-2/h6-14H,4-5,15H2,1-3H3,(H,21,22)
InChIKeyMBDWTZHFFCHQFE-UHFFFAOYSA-N
XLogP3.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111925
N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide
CID 97428577
N-(2-amino-2-ethylbutyl)-2-ethoxybenzamide
CID 81484030
N-(3-amino-2,2-dimethylpropyl)-2-ethoxybenzamide
CID 115365704
2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 71810728
2-chloro-4-fluoro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599502
ethane;2-ethoxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 142472938
2,4-dichloro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599532
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
CID 113462770
2-ethoxy-N-[(2S)-2-methoxy-2-phenylbutyl]acetamide
CID 97428557
N-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide
CID 90599562

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-methoxy-2-phenylbutyl)benzamide?
The IUPAC name of 2-ethoxy-N-(2-methoxy-2-phenylbutyl)benzamide (CID 90599488) is 2-ethoxy-N-(2-methoxy-2-phenylbutyl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(2-methoxy-2-phenylbutyl)benzamide?
The canonical SMILES for 2-ethoxy-N-(2-methoxy-2-phenylbutyl)benzamide is CCOc1ccccc1C(=O)NCC(CC)(OC)c1ccccc1.
What is the InChIKey of 2-ethoxy-N-(2-methoxy-2-phenylbutyl)benzamide?
The InChIKey is MBDWTZHFFCHQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-20(23-3,16-11-7-6-8-12-16)15-21-19(22)17-13-9-10-14-18(17)24-5-2/h6-14H,4-5,15H2,1-3H3,(H,21,22).
What are the key properties of 2-ethoxy-N-(2-methoxy-2-phenylbutyl)benzamide?
2-ethoxy-N-(2-methoxy-2-phenylbutyl)benzamide has a molecular weight of 327.42 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-methoxy-2-phenylbutyl)benzamide is sourced from PubChem (CID 90599488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).