2-[(2R)-2-hydroxybutoxy]-5-methoxybenzamide

C12H17NO4 — CID 129393106

IUPAC2-[(2R)-2-hydroxybutoxy]-5-methoxybenzamide
SMILESCC[C@@H](O)COc1ccc(OC)cc1C(N)=O
InChIInChI=1S/C12H17NO4/c1-3-8(14)7-17-11-5-4-9(16-2)6-10(11)12(13)15/h4-6,8,14H,3,7H2,1-2H3,(H2,13,15)/t8-/m1/s1
InChIKeyILQRDEKOXXENAW-MRVPVSSYSA-N
MW239.27 g/mol
LogP0.94
Rot. Bonds6

About 2-[(2R)-2-hydroxybutoxy]-5-methoxybenzamide

2-[(2R)-2-hydroxybutoxy]-5-methoxybenzamide (PubChem CID 129393106) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[(2R)-2-hydroxybutoxy]-5-methoxybenzamide.

Molecular Properties

Compound Name2-[(2R)-2-hydroxybutoxy]-5-methoxybenzamide
PubChem CID129393106
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-[(2R)-2-hydroxybutoxy]-5-methoxybenzamide
SMILESCC[C@@H](O)COc1ccc(OC)cc1C(N)=O
InChIInChI=1S/C12H17NO4/c1-3-8(14)7-17-11-5-4-9(16-2)6-10(11)12(13)15/h4-6,8,14H,3,7H2,1-2H3,(H2,13,15)/t8-/m1/s1
InChIKeyILQRDEKOXXENAW-MRVPVSSYSA-N
XLogP0.94
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-hydroxybutoxy]-5-methoxybenzamide
CID 129393105
1-[2-(hydroxymethyl)-4-methoxyphenoxy]butan-2-ol
CID 60886437
1-(2-tert-butyl-4-methoxyphenoxy)butan-2-ol
CID 60879729
5-methoxy-2-prop-2-ynoxybenzamide
CID 75485081
5-methoxy-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid
CID 63899578
2-amino-5-methoxybenzamide;ethane
CID 142071126
2-ethoxy-5-(trifluoromethoxy)benzamide
CID 170997994
4-bromo-3-[(2S)-2-hydroxybutoxy]benzamide
CID 167892759
2-(3-cyclopentyl-2-hydroxypropoxy)-5-methoxybenzoic acid
CID 103156154
5-amino-2-(2-methoxypropoxy)benzamide
CID 106956252
5-methoxy-2-(methylamino)benzamide
CID 66991664
4-(2-methylpropoxy)benzene-1,3-dicarboxamide
CID 162371646

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-hydroxybutoxy]-5-methoxybenzamide?
The IUPAC name of 2-[(2R)-2-hydroxybutoxy]-5-methoxybenzamide (CID 129393106) is 2-[(2R)-2-hydroxybutoxy]-5-methoxybenzamide.
What is the SMILES notation for 2-[(2R)-2-hydroxybutoxy]-5-methoxybenzamide?
The canonical SMILES for 2-[(2R)-2-hydroxybutoxy]-5-methoxybenzamide is CC[C@@H](O)COc1ccc(OC)cc1C(N)=O.
What is the InChIKey of 2-[(2R)-2-hydroxybutoxy]-5-methoxybenzamide?
The InChIKey is ILQRDEKOXXENAW-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-3-8(14)7-17-11-5-4-9(16-2)6-10(11)12(13)15/h4-6,8,14H,3,7H2,1-2H3,(H2,13,15)/t8-/m1/s1.
What are the key properties of 2-[(2R)-2-hydroxybutoxy]-5-methoxybenzamide?
2-[(2R)-2-hydroxybutoxy]-5-methoxybenzamide has a molecular weight of 239.27 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-hydroxybutoxy]-5-methoxybenzamide is sourced from PubChem (CID 129393106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).