2-hydroxy-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylbenzamide

C13H19NO3 — CID 43573156

IUPAC2-hydroxy-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(O)c(C(=O)N(CCO)C(C)C)c1
InChIInChI=1S/C13H19NO3/c1-9(2)14(6-7-15)13(17)11-8-10(3)4-5-12(11)16/h4-5,8-9,15-16H,6-7H2,1-3H3
InChIKeyVBHFQRORZWPRGQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.54
Rot. Bonds4

About 2-hydroxy-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylbenzamide

2-hydroxy-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylbenzamide (PubChem CID 43573156) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylbenzamide
PubChem CID43573156
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-hydroxy-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(O)c(C(=O)N(CCO)C(C)C)c1
InChIInChI=1S/C13H19NO3/c1-9(2)14(6-7-15)13(17)11-8-10(3)4-5-12(11)16/h4-5,8-9,15-16H,6-7H2,1-3H3
InChIKeyVBHFQRORZWPRGQ-UHFFFAOYSA-N
XLogP1.54
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dihydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 107722686
5-chloro-2-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 43573260
N-(3-chloropropyl)-2-hydroxy-5-methyl-N-propan-2-ylbenzamide
CID 63390870
N-(3-amino-3-sulfanylidenepropyl)-2-hydroxy-5-methyl-N-propan-2-ylbenzamide
CID 54997894
2-hydroxy-N-(2-hydroxyethyl)-N,5-dimethylbenzamide
CID 60652527
5-bromo-2-hydroxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 107729713
N-(2-chloroethyl)-2-hydroxy-4-methyl-N-propan-2-ylbenzamide
CID 63393752
3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide
CID 43573118
N-(2-chloroethyl)-2,5-dihydroxy-N-propan-2-ylbenzamide
CID 107725804
2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 107074136
2-bromo-5-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 81109662
N-(3-amino-3-sulfanylidenepropyl)-2,5-dihydroxy-N-propan-2-ylbenzamide
CID 107722079

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylbenzamide (CID 43573156) is 2-hydroxy-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylbenzamide is Cc1ccc(O)c(C(=O)N(CCO)C(C)C)c1.
What is the InChIKey of 2-hydroxy-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylbenzamide?
The InChIKey is VBHFQRORZWPRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)14(6-7-15)13(17)11-8-10(3)4-5-12(11)16/h4-5,8-9,15-16H,6-7H2,1-3H3.
What are the key properties of 2-hydroxy-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylbenzamide?
2-hydroxy-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 43573156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).