N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide

C19H21NO3 — CID 24684666

IUPACN-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c21-19(20-13-18-7-4-12-22-18)16-10-8-15(9-11-16)14-23-17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,20,21)
InChIKeyVQFJTXQLYBFMLA-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.17
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide

N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide (PubChem CID 24684666) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide
PubChem CID24684666
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide
SMILESO=C(NCC1CCCO1)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C19H21NO3/c21-19(20-13-18-7-4-12-22-18)16-10-8-15(9-11-16)14-23-17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,20,21)
InChIKeyVQFJTXQLYBFMLA-UHFFFAOYSA-N
XLogP3.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromophenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1226327
4-[(4-chlorophenoxy)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 895178
4-[(4-tert-butylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 6914711
N-(oxolan-2-ylmethyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24980461
4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19578710
N-(oxolan-2-ylmethyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 18168439
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
N-[[(2S)-oxolan-2-yl]methyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 94016602
N-(oxolan-2-ylmethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 43044718
N-(oxolan-2-ylmethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574102
5-[(4-ethoxyphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 756937
4-(2-methylpropoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7394154

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide (CID 24684666) is N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide is O=C(NCC1CCCO1)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide?
The InChIKey is VQFJTXQLYBFMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-19(20-13-18-7-4-12-22-18)16-10-8-15(9-11-16)14-23-17-5-2-1-3-6-17/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,20,21).
What are the key properties of N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide?
N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide has a molecular weight of 311.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide is sourced from PubChem (CID 24684666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).