4-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenoxy]benzamide

C19H20N2O4 — CID 95153483

IUPAC4-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1
InChIInChI=1S/C19H20N2O4/c20-18(22)13-3-7-15(8-4-13)25-16-9-5-14(6-10-16)19(23)21-12-17-2-1-11-24-17/h3-10,17H,1-2,11-12H2,(H2,20,22)(H,21,23)/t17-/m1/s1
InChIKeySRYPWHLXHVWMGZ-QGZVFWFLSA-N
MW340.38 g/mol
LogP2.49
Rot. Bonds6

About 4-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenoxy]benzamide

4-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenoxy]benzamide (PubChem CID 95153483) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenoxy]benzamide
PubChem CID95153483
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name4-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenoxy]benzamide
SMILESNC(=O)c1ccc(Oc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1
InChIInChI=1S/C19H20N2O4/c20-18(22)13-3-7-15(8-4-13)25-16-9-5-14(6-10-16)19(23)21-12-17-2-1-11-24-17/h3-10,17H,1-2,11-12H2,(H2,20,22)(H,21,23)/t17-/m1/s1
InChIKeySRYPWHLXHVWMGZ-QGZVFWFLSA-N
XLogP2.49
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 40973251
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
4-(2-methylpropoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7394154
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
4-(2-methylprop-2-enoxy)-N-(oxolan-2-ylmethyl)benzamide
CID 6472346
trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide
CID 99738286
[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]boronic acid
CID 99773201
4-(2-ethoxyethoxy)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 41229837
4-(oxolan-2-ylmethylamino)benzamide
CID 43179718

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenoxy]benzamide (CID 95153483) is 4-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenoxy]benzamide is NC(=O)c1ccc(Oc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1.
What is the InChIKey of 4-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenoxy]benzamide?
The InChIKey is SRYPWHLXHVWMGZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N2O4/c20-18(22)13-3-7-15(8-4-13)25-16-9-5-14(6-10-16)19(23)21-12-17-2-1-11-24-17/h3-10,17H,1-2,11-12H2,(H2,20,22)(H,21,23)/t17-/m1/s1.
What are the key properties of 4-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenoxy]benzamide?
4-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenoxy]benzamide has a molecular weight of 340.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenoxy]benzamide is sourced from PubChem (CID 95153483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).