N-[(3S)-2-hydroxyoxolan-3-yl]-4-methoxybenzamide

C12H15NO4 — CID 146504792

IUPACN-[(3S)-2-hydroxyoxolan-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCOC2O)cc1
InChIInChI=1S/C12H15NO4/c1-16-9-4-2-8(3-5-9)11(14)13-10-6-7-17-12(10)15/h2-5,10,12,15H,6-7H2,1H3,(H,13,14)/t10-,12?/m0/s1
InChIKeyYKNCHABVYSZIEA-NUHJPDEHSA-N
MW237.25 g/mol
LogP0.53
Rot. Bonds3

About N-[(3S)-2-hydroxyoxolan-3-yl]-4-methoxybenzamide

N-[(3S)-2-hydroxyoxolan-3-yl]-4-methoxybenzamide (PubChem CID 146504792) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-[(3S)-2-hydroxyoxolan-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(3S)-2-hydroxyoxolan-3-yl]-4-methoxybenzamide
PubChem CID146504792
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC NameN-[(3S)-2-hydroxyoxolan-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCOC2O)cc1
InChIInChI=1S/C12H15NO4/c1-16-9-4-2-8(3-5-9)11(14)13-10-6-7-17-12(10)15/h2-5,10,12,15H,6-7H2,1H3,(H,13,14)/t10-,12?/m0/s1
InChIKeyYKNCHABVYSZIEA-NUHJPDEHSA-N
XLogP0.53
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide
CID 95983830
N-(4-hydroxyazepan-3-yl)-4-methoxybenzamide
CID 74505343
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-4-methoxybenzamide
CID 51665263
N-(3-ethoxyoxan-4-yl)-4-(4-methoxyphenoxy)benzamide
CID 156608381
N-[2-[(dimethylamino)methyl]cyclohexyl]-4-methoxybenzamide
CID 110279273
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperidin-1-yl)methyl]oxolan-3-yl]-4-methoxybenzamide
CID 125416740
N-(4-cyanocyclohexyl)-4-methoxybenzamide
CID 115270168
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-methoxybenzamide
CID 66211922
[(3R,3aR,6R,6aR)-3-[(4-methoxybenzoyl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N-cyclohexylcarbamate
CID 162805470
N-[(3S,4R,5S)-4-hydroxy-5-[(4-methylpiperazin-1-yl)methyl]oxolan-3-yl]-4-methoxybenzamide
CID 125417422
N-[(2R)-2-[(4-methoxybenzoyl)amino]cyclopentyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 163680968

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-hydroxyoxolan-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[(3S)-2-hydroxyoxolan-3-yl]-4-methoxybenzamide (CID 146504792) is N-[(3S)-2-hydroxyoxolan-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[(3S)-2-hydroxyoxolan-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[(3S)-2-hydroxyoxolan-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@H]2CCOC2O)cc1.
What is the InChIKey of N-[(3S)-2-hydroxyoxolan-3-yl]-4-methoxybenzamide?
The InChIKey is YKNCHABVYSZIEA-NUHJPDEHSA-N. The full InChI is InChI=1S/C12H15NO4/c1-16-9-4-2-8(3-5-9)11(14)13-10-6-7-17-12(10)15/h2-5,10,12,15H,6-7H2,1H3,(H,13,14)/t10-,12?/m0/s1.
What are the key properties of N-[(3S)-2-hydroxyoxolan-3-yl]-4-methoxybenzamide?
N-[(3S)-2-hydroxyoxolan-3-yl]-4-methoxybenzamide has a molecular weight of 237.25 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-hydroxyoxolan-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 146504792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).