2-hydroxy-N-(2-hydroxyethyl)-4-methyl-3-propan-2-ylbenzamide

C13H19NO3 — CID 23618172

IUPAC2-hydroxy-N-(2-hydroxyethyl)-4-methyl-3-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)NCCO)c(O)c1C(C)C
InChIInChI=1S/C13H19NO3/c1-8(2)11-9(3)4-5-10(12(11)16)13(17)14-6-7-15/h4-5,8,15-16H,6-7H2,1-3H3,(H,14,17)
InChIKeySUIKPDZAUCLGIT-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.55
Rot. Bonds4

About 2-hydroxy-N-(2-hydroxyethyl)-4-methyl-3-propan-2-ylbenzamide

2-hydroxy-N-(2-hydroxyethyl)-4-methyl-3-propan-2-ylbenzamide (PubChem CID 23618172) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-hydroxy-N-(2-hydroxyethyl)-4-methyl-3-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-hydroxyethyl)-4-methyl-3-propan-2-ylbenzamide
PubChem CID23618172
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-hydroxy-N-(2-hydroxyethyl)-4-methyl-3-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)NCCO)c(O)c1C(C)C
InChIInChI=1S/C13H19NO3/c1-8(2)11-9(3)4-5-10(12(11)16)13(17)14-6-7-15/h4-5,8,15-16H,6-7H2,1-3H3,(H,14,17)
InChIKeySUIKPDZAUCLGIT-UHFFFAOYSA-N
XLogP1.55
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-methyl-3-propan-2-ylbenzamide
CID 57373684
2,3,4-trihydroxy-N-(2-hydroxyethyl)benzamide
CID 141183916
ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743
5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 115532800
3-hydroxy-N-(2-hydroxyethyl)-4-methylbenzamide
CID 43416195
N-(2-hydroxyethyl)-4-methyl-2-(methylamino)benzamide
CID 146655569
N-(3-aminobutyl)-2,4-dimethylbenzamide
CID 63254051
2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62511184
2-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-3,4-dimethylbenzamide
CID 111697393
2-hydroxy-3-methyl-N-[4-(propan-2-ylamino)butyl]benzamide
CID 167628085
2-hydroxy-N-(3-methoxypropyl)-3,4-dimethylbenzamide
CID 47268064
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-4-methyl-3-propan-2-ylbenzamide?
The IUPAC name of 2-hydroxy-N-(2-hydroxyethyl)-4-methyl-3-propan-2-ylbenzamide (CID 23618172) is 2-hydroxy-N-(2-hydroxyethyl)-4-methyl-3-propan-2-ylbenzamide.
What is the SMILES notation for 2-hydroxy-N-(2-hydroxyethyl)-4-methyl-3-propan-2-ylbenzamide?
The canonical SMILES for 2-hydroxy-N-(2-hydroxyethyl)-4-methyl-3-propan-2-ylbenzamide is Cc1ccc(C(=O)NCCO)c(O)c1C(C)C.
What is the InChIKey of 2-hydroxy-N-(2-hydroxyethyl)-4-methyl-3-propan-2-ylbenzamide?
The InChIKey is SUIKPDZAUCLGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8(2)11-9(3)4-5-10(12(11)16)13(17)14-6-7-15/h4-5,8,15-16H,6-7H2,1-3H3,(H,14,17).
What are the key properties of 2-hydroxy-N-(2-hydroxyethyl)-4-methyl-3-propan-2-ylbenzamide?
2-hydroxy-N-(2-hydroxyethyl)-4-methyl-3-propan-2-ylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-hydroxyethyl)-4-methyl-3-propan-2-ylbenzamide is sourced from PubChem (CID 23618172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).