2-hydroxy-4-methoxy-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide

C14H19NO4 — CID 93044901

IUPAC2-hydroxy-4-methoxy-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)c(O)c1
InChIInChI=1S/C14H19NO4/c1-9(13-4-3-7-19-13)15-14(17)11-6-5-10(18-2)8-12(11)16/h5-6,8-9,13,16H,3-4,7H2,1-2H3,(H,15,17)/t9-,13-/m0/s1
InChIKeyYPHRXMKQWLOQMR-ZANVPECISA-N
MW265.31 g/mol
LogP1.70
Rot. Bonds4

About 2-hydroxy-4-methoxy-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide

2-hydroxy-4-methoxy-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide (PubChem CID 93044901) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
PubChem CID93044901
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-hydroxy-4-methoxy-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)c(O)c1
InChIInChI=1S/C14H19NO4/c1-9(13-4-3-7-19-13)15-14(17)11-6-5-10(18-2)8-12(11)16/h5-6,8-9,13,16H,3-4,7H2,1-2H3,(H,15,17)/t9-,13-/m0/s1
InChIKeyYPHRXMKQWLOQMR-ZANVPECISA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 6467333
5-methoxy-2-[[1-(oxolan-2-yl)ethylamino]methyl]phenol
CID 78969051
2-methoxy-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-5-sulfamoylbenzamide
CID 35230864
N-(dicyclopropylmethyl)-2-hydroxy-4-methoxybenzamide
CID 60717998
1-(4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 6468062
1-(2-bromo-5-methoxyphenyl)-3-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 95596162
1-(2-chloro-4-methoxyphenyl)-3-[1-(oxolan-2-yl)ethyl]urea
CID 86862826
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-4-phenoxybenzamide
CID 35273707
2-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 30902423
3-hydroxy-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 104627700
methyl 5-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]thiophene-2-carboxylate
CID 35252676
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide?
The IUPAC name of 2-hydroxy-4-methoxy-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide (CID 93044901) is 2-hydroxy-4-methoxy-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-4-methoxy-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide?
The canonical SMILES for 2-hydroxy-4-methoxy-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide is COc1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methoxy-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide?
The InChIKey is YPHRXMKQWLOQMR-ZANVPECISA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(13-4-3-7-19-13)15-14(17)11-6-5-10(18-2)8-12(11)16/h5-6,8-9,13,16H,3-4,7H2,1-2H3,(H,15,17)/t9-,13-/m0/s1.
What are the key properties of 2-hydroxy-4-methoxy-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide?
2-hydroxy-4-methoxy-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide has a molecular weight of 265.31 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide is sourced from PubChem (CID 93044901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).