3-hydroxy-4-methoxy-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]benzamide

C18H25NO5 — CID 133265575

IUPAC3-hydroxy-4-methoxy-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C2CCOCC2)cc1O
InChIInChI=1S/C18H25NO5/c1-22-17-3-2-13(10-16(17)20)18(21)19-15-6-9-24-11-14(15)12-4-7-23-8-5-12/h2-3,10,12,14-15,20H,4-9,11H2,1H3,(H,19,21)/t14-,15-/m1/s1
InChIKeyYFWCTHGEEUXKFU-HUUCEWRRSA-N
MW335.40 g/mol
LogP1.96
Rot. Bonds4

About 3-hydroxy-4-methoxy-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]benzamide

3-hydroxy-4-methoxy-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]benzamide (PubChem CID 133265575) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]benzamide
PubChem CID133265575
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name3-hydroxy-4-methoxy-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C2CCOCC2)cc1O
InChIInChI=1S/C18H25NO5/c1-22-17-3-2-13(10-16(17)20)18(21)19-15-6-9-24-11-14(15)12-4-7-23-8-5-12/h2-3,10,12,14-15,20H,4-9,11H2,1H3,(H,19,21)/t14-,15-/m1/s1
InChIKeyYFWCTHGEEUXKFU-HUUCEWRRSA-N
XLogP1.96
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide
CID 133265512
N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]naphthalene-2-carboxamide
CID 91798169
2,4-dimethoxy-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]benzamide
CID 91794863
N-cyclohexyl-3-hydroxy-4-methoxybenzamide
CID 79600190
2-(2-methoxyphenoxy)-2-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]propanamide
CID 133265711
2-(2-methoxyphenoxy)-2-methyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]propanamide
CID 91760027
3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide
CID 79672650
N-[2-(aminomethyl)cyclopentyl]-3-hydroxy-4-methoxybenzamide
CID 79725712
3-hydroxy-4-methoxy-N-piperidin-4-ylbenzamide
CID 79725951
4-amino-3-hydroxy-N-(3-methyloxan-4-yl)benzamide
CID 114240743
3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide
CID 86780875
3-hydroxy-4-methoxy-N-(3-methoxycyclopentyl)benzamide
CID 103099443

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]benzamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]benzamide (CID 133265575) is 3-hydroxy-4-methoxy-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]benzamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]benzamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]benzamide is COc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C2CCOCC2)cc1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]benzamide?
The InChIKey is YFWCTHGEEUXKFU-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H25NO5/c1-22-17-3-2-13(10-16(17)20)18(21)19-15-6-9-24-11-14(15)12-4-7-23-8-5-12/h2-3,10,12,14-15,20H,4-9,11H2,1H3,(H,19,21)/t14-,15-/m1/s1.
What are the key properties of 3-hydroxy-4-methoxy-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]benzamide?
3-hydroxy-4-methoxy-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]benzamide has a molecular weight of 335.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]benzamide is sourced from PubChem (CID 133265575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).