4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide

C20H23NO4 — CID 91795848

IUPAC4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1ccc(CO)cc1
InChIInChI=1S/C20H23NO4/c22-12-15-6-8-17(9-7-15)20(23)21-18-10-11-24-14-19(18)25-13-16-4-2-1-3-5-16/h1-9,18-19,22H,10-14H2,(H,21,23)/t18-,19-/m1/s1
InChIKeyKDOBCGYKKZMZQU-RTBURBONSA-N
MW341.41 g/mol
LogP2.28
Rot. Bonds6

About 4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide

4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide (PubChem CID 91795848) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
PubChem CID91795848
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
SMILESO=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1ccc(CO)cc1
InChIInChI=1S/C20H23NO4/c22-12-15-6-8-17(9-7-15)20(23)21-18-10-11-24-14-19(18)25-13-16-4-2-1-3-5-16/h1-9,18-19,22H,10-14H2,(H,21,23)/t18-,19-/m1/s1
InChIKeyKDOBCGYKKZMZQU-RTBURBONSA-N
XLogP2.28
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide
CID 91781998
N-(3-phenylmethoxyoxan-4-yl)quinoline-6-carboxamide
CID 156609597
5-chloro-6-oxo-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1H-pyridine-3-carboxamide
CID 91775793
3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide
CID 91768844
3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide
CID 91775648
N-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide
CID 156609821
3-cyclopropyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide
CID 91763043
2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91760467
2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91773629
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide
CID 91771876
2,6-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-3-carboxamide
CID 91765136
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-piperidin-1-ylacetamide
CID 91786681

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide?
The IUPAC name of 4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide (CID 91795848) is 4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide is O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1ccc(CO)cc1.
What is the InChIKey of 4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide?
The InChIKey is KDOBCGYKKZMZQU-RTBURBONSA-N. The full InChI is InChI=1S/C20H23NO4/c22-12-15-6-8-17(9-7-15)20(23)21-18-10-11-24-14-19(18)25-13-16-4-2-1-3-5-16/h1-9,18-19,22H,10-14H2,(H,21,23)/t18-,19-/m1/s1.
What are the key properties of 4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide?
4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide has a molecular weight of 341.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide is sourced from PubChem (CID 91795848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).