2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide

C22H25NO3 — CID 46422005

IUPAC2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CC1)c1ccccc1OCC1CCCO1
InChIInChI=1S/C22H25NO3/c24-21(23-16-22(12-13-22)17-7-2-1-3-8-17)19-10-4-5-11-20(19)26-15-18-9-6-14-25-18/h1-5,7-8,10-11,18H,6,9,12-16H2,(H,23,24)
InChIKeyWXBDDZYZJSOAMZ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.71
Rot. Bonds7

About 2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide

2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide (PubChem CID 46422005) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide
PubChem CID46422005
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CC1)c1ccccc1OCC1CCCO1
InChIInChI=1S/C22H25NO3/c24-21(23-16-22(12-13-22)17-7-2-1-3-8-17)19-10-4-5-11-20(19)26-15-18-9-6-14-25-18/h1-5,7-8,10-11,18H,6,9,12-16H2,(H,23,24)
InChIKeyWXBDDZYZJSOAMZ-UHFFFAOYSA-N
XLogP3.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide
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methyl (E)-4-[[2-(oxolan-2-ylmethoxy)benzoyl]amino]but-2-enoate
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2-(oxolan-2-ylmethoxy)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
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N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 43034954
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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide?
The IUPAC name of 2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide (CID 46422005) is 2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide.
What is the SMILES notation for 2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide?
The canonical SMILES for 2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide is O=C(NCC1(c2ccccc2)CC1)c1ccccc1OCC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide?
The InChIKey is WXBDDZYZJSOAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c24-21(23-16-22(12-13-22)17-7-2-1-3-8-17)19-10-4-5-11-20(19)26-15-18-9-6-14-25-18/h1-5,7-8,10-11,18H,6,9,12-16H2,(H,23,24).
What are the key properties of 2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide?
2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide is sourced from PubChem (CID 46422005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).