N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide

C20H22N2O4 — CID 40642293

IUPACN-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1
InChIInChI=1S/C20H22N2O4/c1-14(23)21-16-6-8-17(9-7-16)22-20(24)15-4-10-18(11-5-15)26-13-19-3-2-12-25-19/h4-11,19H,2-3,12-13H2,1H3,(H,21,23)(H,22,24)/t19-/m1/s1
InChIKeyIFTPQSYPLLFCGW-LJQANCHMSA-N
MW354.41 g/mol
LogP3.46
Rot. Bonds6

About N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide

N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide (PubChem CID 40642293) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
PubChem CID40642293
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1
InChIInChI=1S/C20H22N2O4/c1-14(23)21-16-6-8-17(9-7-16)22-20(24)15-4-10-18(11-5-15)26-13-19-3-2-12-25-19/h4-11,19H,2-3,12-13H2,1H3,(H,21,23)(H,22,24)/t19-/m1/s1
InChIKeyIFTPQSYPLLFCGW-LJQANCHMSA-N
XLogP3.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
N-[4-(methanesulfonamido)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 36818148
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]pyridine-4-carboxamide
CID 7447165
4-(2-ethoxyethoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17112691
4-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 4795558
4-[[(2S)-oxolan-2-yl]methoxy]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7987635
4-(oxolan-2-ylmethoxy)-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 16580872

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The IUPAC name of N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide (CID 40642293) is N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide is CC(=O)Nc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The InChIKey is IFTPQSYPLLFCGW-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14(23)21-16-6-8-17(9-7-16)22-20(24)15-4-10-18(11-5-15)26-13-19-3-2-12-25-19/h4-11,19H,2-3,12-13H2,1H3,(H,21,23)(H,22,24)/t19-/m1/s1.
What are the key properties of N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide?
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide has a molecular weight of 354.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 40642293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).