N-[3-(2-hydroxyethoxy)oxan-4-yl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide

C19H25NO5 — CID 156608304

IUPACN-[3-(2-hydroxyethoxy)oxan-4-yl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide
SMILESCC(C)(O)C#Cc1cccc(C(=O)NC2CCOCC2OCCO)c1
InChIInChI=1S/C19H25NO5/c1-19(2,23)8-6-14-4-3-5-15(12-14)18(22)20-16-7-10-24-13-17(16)25-11-9-21/h3-5,12,16-17,21,23H,7,9-11,13H2,1-2H3,(H,20,22)
InChIKeyIOVWOBNATMZLOQ-UHFFFAOYSA-N
MW347.41 g/mol
LogP0.71
Rot. Bonds5

About N-[3-(2-hydroxyethoxy)oxan-4-yl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide

N-[3-(2-hydroxyethoxy)oxan-4-yl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide (PubChem CID 156608304) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is N-[3-(2-hydroxyethoxy)oxan-4-yl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-hydroxyethoxy)oxan-4-yl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide
PubChem CID156608304
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC NameN-[3-(2-hydroxyethoxy)oxan-4-yl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide
SMILESCC(C)(O)C#Cc1cccc(C(=O)NC2CCOCC2OCCO)c1
InChIInChI=1S/C19H25NO5/c1-19(2,23)8-6-14-4-3-5-15(12-14)18(22)20-16-7-10-24-13-17(16)25-11-9-21/h3-5,12,16-17,21,23H,7,9-11,13H2,1-2H3,(H,20,22)
InChIKeyIOVWOBNATMZLOQ-UHFFFAOYSA-N
XLogP0.71
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(ethylsulfonylamino)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]benzamide
CID 91772259
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-3-methylpyridine-2-carboxamide
CID 91760856
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,8-dimethylquinoline-3-carboxamide
CID 91781227
3-(3-hydroxy-3-methylbut-1-ynyl)-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]benzamide
CID 131915003
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-2,2,3-trimethylbut-3-enamide
CID 91783033
N-[(3R,4S)-4-(2-hydroxyethoxy)oxan-3-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 91785949
3-(difluoromethoxy)-N-[(3S,4R)-3-(3-methylbut-2-enoxy)oxan-4-yl]benzamide
CID 91776698
3-(3-hydroxy-3-methylbut-1-ynyl)-N-(2-oxoazepan-3-yl)benzamide
CID 50950773
3-(2-ethoxyethoxy)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91761869
N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide
CID 95131730
N-(2,3-dimethylcyclopentyl)-3-(4-hydroxybut-1-ynyl)benzamide
CID 64921078
3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide
CID 91768615

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxyethoxy)oxan-4-yl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide?
The IUPAC name of N-[3-(2-hydroxyethoxy)oxan-4-yl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide (CID 156608304) is N-[3-(2-hydroxyethoxy)oxan-4-yl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide.
What is the SMILES notation for N-[3-(2-hydroxyethoxy)oxan-4-yl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide?
The canonical SMILES for N-[3-(2-hydroxyethoxy)oxan-4-yl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide is CC(C)(O)C#Cc1cccc(C(=O)NC2CCOCC2OCCO)c1.
What is the InChIKey of N-[3-(2-hydroxyethoxy)oxan-4-yl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide?
The InChIKey is IOVWOBNATMZLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c1-19(2,23)8-6-14-4-3-5-15(12-14)18(22)20-16-7-10-24-13-17(16)25-11-9-21/h3-5,12,16-17,21,23H,7,9-11,13H2,1-2H3,(H,20,22).
What are the key properties of N-[3-(2-hydroxyethoxy)oxan-4-yl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide?
N-[3-(2-hydroxyethoxy)oxan-4-yl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide has a molecular weight of 347.41 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxyethoxy)oxan-4-yl]-3-(3-hydroxy-3-methylbut-1-ynyl)benzamide is sourced from PubChem (CID 156608304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).