2-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide

C24H30N2O3 — CID 30687716

IUPAC2-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
SMILESO=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccccc1OC[C@H]1CCCO1
InChIInChI=1S/C24H30N2O3/c27-24(21-12-4-5-13-23(21)29-18-20-11-8-16-28-20)25-17-22(26-14-6-7-15-26)19-9-2-1-3-10-19/h1-5,9-10,12-13,20,22H,6-8,11,14-18H2,(H,25,27)/t20-,22-/m1/s1
InChIKeyBSHFXUMRZZWSMC-IFMALSPDSA-N
MW394.52 g/mol
LogP3.81
Rot. Bonds8

About 2-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide

2-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 30687716) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name2-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID30687716
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name2-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
SMILESO=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccccc1OC[C@H]1CCCO1
InChIInChI=1S/C24H30N2O3/c27-24(21-12-4-5-13-23(21)29-18-20-11-8-16-28-20)25-17-22(26-14-6-7-15-26)19-9-2-1-3-10-19/h1-5,9-10,12-13,20,22H,6-8,11,14-18H2,(H,25,27)/t20-,22-/m1/s1
InChIKeyBSHFXUMRZZWSMC-IFMALSPDSA-N
XLogP3.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide
CID 43047937
N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 78854576
2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 46422005
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 46536372
2-ethoxy-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951392
2-ethoxy-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985319
2-methyl-5-[[[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]methyl]furan-3-carboxylic acid
CID 125150340
N-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 42923990
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]-2-phenylacetonitrile
CID 112810509
N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 25498534
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 43044692

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 2-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide (CID 30687716) is 2-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 2-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 2-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide is O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccccc1OC[C@H]1CCCO1.
What is the InChIKey of 2-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is BSHFXUMRZZWSMC-IFMALSPDSA-N. The full InChI is InChI=1S/C24H30N2O3/c27-24(21-12-4-5-13-23(21)29-18-20-11-8-16-28-20)25-17-22(26-14-6-7-15-26)19-9-2-1-3-10-19/h1-5,9-10,12-13,20,22H,6-8,11,14-18H2,(H,25,27)/t20-,22-/m1/s1.
What are the key properties of 2-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide?
2-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 394.52 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-oxolan-2-yl]methoxy]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 30687716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).