2-[(2S)-oxolan-2-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide

C21H25NO3 — CID 94125516

IUPAC2-[(2S)-oxolan-2-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
SMILESO=C(C[C@@H]1CCCO1)NCc1ccccc1COCc1ccccc1
InChIInChI=1S/C21H25NO3/c23-21(13-20-11-6-12-25-20)22-14-18-9-4-5-10-19(18)16-24-15-17-7-2-1-3-8-17/h1-5,7-10,20H,6,11-16H2,(H,22,23)/t20-/m0/s1
InChIKeyBXHZIDLMZDRZDD-FQEVSTJZSA-N
MW339.44 g/mol
LogP3.59
Rot. Bonds8

About 2-[(2S)-oxolan-2-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide

2-[(2S)-oxolan-2-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide (PubChem CID 94125516) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[(2S)-oxolan-2-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-oxolan-2-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
PubChem CID94125516
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name2-[(2S)-oxolan-2-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
SMILESO=C(C[C@@H]1CCCO1)NCc1ccccc1COCc1ccccc1
InChIInChI=1S/C21H25NO3/c23-21(13-20-11-6-12-25-20)22-14-18-9-4-5-10-19(18)16-24-15-17-7-2-1-3-8-17/h1-5,7-10,20H,6,11-16H2,(H,22,23)/t20-/m0/s1
InChIKeyBXHZIDLMZDRZDD-FQEVSTJZSA-N
XLogP3.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentylsulfonyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 78884993
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119718080
N-[(2-methoxyphenyl)methyl]-2-(oxan-2-yl)acetamide
CID 110410171
trans-(1R,2R)-2-[[2-(phenylmethoxymethyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125119719
2-(4-bromophenyl)-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 55694421
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94026468
N-(2-benzylsulfonylethyl)-2-[(2S)-oxolan-2-yl]acetamide
CID 94175675
1-(oxolan-2-ylmethyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
CID 43077068
3-[3-[[[2-(oxolan-2-yl)acetyl]amino]methyl]phenyl]prop-2-enoic acid
CID 77057754
N-[[3-(methylsulfanylmethyl)phenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 99828041
N-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide
CID 60769167
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(oxolan-2-yl)acetamide
CID 71983019

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-oxolan-2-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(2S)-oxolan-2-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide (CID 94125516) is 2-[(2S)-oxolan-2-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(2S)-oxolan-2-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(2S)-oxolan-2-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide is O=C(C[C@@H]1CCCO1)NCc1ccccc1COCc1ccccc1.
What is the InChIKey of 2-[(2S)-oxolan-2-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide?
The InChIKey is BXHZIDLMZDRZDD-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25NO3/c23-21(13-20-11-6-12-25-20)22-14-18-9-4-5-10-19(18)16-24-15-17-7-2-1-3-8-17/h1-5,7-10,20H,6,11-16H2,(H,22,23)/t20-/m0/s1.
What are the key properties of 2-[(2S)-oxolan-2-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide?
2-[(2S)-oxolan-2-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-oxolan-2-yl]-N-[[2-(phenylmethoxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 94125516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).