2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide

C14H19NO4 — CID 91765639

IUPAC2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide
SMILESCCOc1ccccc1C(=O)N[C@@H]1CCOC[C@H]1O
InChIInChI=1S/C14H19NO4/c1-2-19-13-6-4-3-5-10(13)14(17)15-11-7-8-18-9-12(11)16/h3-6,11-12,16H,2,7-9H2,1H3,(H,15,17)/t11-,12-/m1/s1
InChIKeyXONFOSUGXGPNHV-VXGBXAGGSA-N
MW265.31 g/mol
LogP0.96
Rot. Bonds4

About 2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide

2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide (PubChem CID 91765639) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide
PubChem CID91765639
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide
SMILESCCOc1ccccc1C(=O)N[C@@H]1CCOC[C@H]1O
InChIInChI=1S/C14H19NO4/c1-2-19-13-6-4-3-5-10(13)14(17)15-11-7-8-18-9-12(11)16/h3-6,11-12,16H,2,7-9H2,1H3,(H,15,17)/t11-,12-/m1/s1
InChIKeyXONFOSUGXGPNHV-VXGBXAGGSA-N
XLogP0.96
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-butoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide
CID 91774099
N-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide
CID 91767554
2-[(2-ethoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814568
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-ethoxybenzamide
CID 68666556
2-ethoxy-N-[[(2R)-oxiran-2-yl]methyl]benzamide
CID 97180721
4-chloro-N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxybenzamide
CID 91777707
2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]benzamide
CID 43594205
2-ethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389363
2-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978574
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-ethoxybenzamide
CID 66211142
cis-(1S,3R)-3-[(2-ethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677160
N-[(3S,4R)-3-hydroxyoxan-4-yl]-2-methoxyquinoline-4-carboxamide
CID 91785243

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide (CID 91765639) is 2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide is CCOc1ccccc1C(=O)N[C@@H]1CCOC[C@H]1O.
What is the InChIKey of 2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide?
The InChIKey is XONFOSUGXGPNHV-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-19-13-6-4-3-5-10(13)14(17)15-11-7-8-18-9-12(11)16/h3-6,11-12,16H,2,7-9H2,1H3,(H,15,17)/t11-,12-/m1/s1.
What are the key properties of 2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide?
2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide has a molecular weight of 265.31 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide is sourced from PubChem (CID 91765639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).