2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide

C21H25NO5 — CID 91773629

IUPAC2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c(OC)c1
InChIInChI=1S/C21H25NO5/c1-24-16-8-9-17(19(12-16)25-2)21(23)22-18-10-11-26-14-20(18)27-13-15-6-4-3-5-7-15/h3-9,12,18,20H,10-11,13-14H2,1-2H3,(H,22,23)/t18-,20-/m1/s1
InChIKeyIQUJDYSDOYQDDY-UYAOXDASSA-N
MW371.43 g/mol
LogP2.81
Rot. Bonds7

About 2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide

2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide (PubChem CID 91773629) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
PubChem CID91773629
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c(OC)c1
InChIInChI=1S/C21H25NO5/c1-24-16-8-9-17(19(12-16)25-2)21(23)22-18-10-11-26-14-20(18)27-13-15-6-4-3-5-7-15/h3-9,12,18,20H,10-11,13-14H2,1-2H3,(H,22,23)/t18-,20-/m1/s1
InChIKeyIQUJDYSDOYQDDY-UYAOXDASSA-N
XLogP2.81
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-3-carboxamide
CID 91765136
2,4-dimethoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide
CID 91794863
3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide
CID 91775648
4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91795848
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
3-hydroxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyridine-2-carboxamide
CID 91768844
4-ethyl-2-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,3-thiazole-5-carboxamide
CID 91777414
2-ethyl-5-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]pyrazole-3-carboxamide
CID 91769972
N-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide
CID 156609821
5-chloro-6-oxo-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1H-pyridine-3-carboxamide
CID 91775793
N-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide
CID 91767554

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide (CID 91773629) is 2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide is COc1ccc(C(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide?
The InChIKey is IQUJDYSDOYQDDY-UYAOXDASSA-N. The full InChI is InChI=1S/C21H25NO5/c1-24-16-8-9-17(19(12-16)25-2)21(23)22-18-10-11-26-14-20(18)27-13-15-6-4-3-5-7-15/h3-9,12,18,20H,10-11,13-14H2,1-2H3,(H,22,23)/t18-,20-/m1/s1.
What are the key properties of 2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide?
2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide has a molecular weight of 371.43 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide is sourced from PubChem (CID 91773629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).