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

C13H19NO3 — CID 43573118

IUPAC3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(CCO)C(C)C)cc1O
InChIInChI=1S/C13H19NO3/c1-9(2)14(6-7-15)13(17)11-5-4-10(3)12(16)8-11/h4-5,8-9,15-16H,6-7H2,1-3H3
InChIKeyGDXNKPWSPDTLLV-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.54
Rot. Bonds4

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

3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide (PubChem CID 43573118) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide
PubChem CID43573118
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(CCO)C(C)C)cc1O
InChIInChI=1S/C13H19NO3/c1-9(2)14(6-7-15)13(17)11-5-4-10(3)12(16)8-11/h4-5,8-9,15-16H,6-7H2,1-3H3
InChIKeyGDXNKPWSPDTLLV-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

N-(2-hydroxyethyl)-3-methyl-4-nitro-N-propan-2-ylbenzamide
CID 43573129
3,4-dihydroxy-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 107728479
N-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide
CID 28707889
4-amino-3-fluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 62678688
4-amino-N-(2-hydroxyethyl)-3-iodo-N-propan-2-ylbenzamide
CID 112750807
3-hydroxy-4-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79701981
2-hydroxy-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylbenzamide
CID 43573156
N-(2-hydroxyethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide
CID 54993744
N-(2-hydroxyethyl)-N-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63744371
N-(3-aminopropyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide
CID 107673300
N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbenzamide
CID 43573527
3-hydroxy-N-(3-hydroxybutyl)-N,4-dimethylbenzamide
CID 115993845

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide (CID 43573118) is 3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide is Cc1ccc(C(=O)N(CCO)C(C)C)cc1O.
What is the InChIKey of 3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide?
The InChIKey is GDXNKPWSPDTLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)14(6-7-15)13(17)11-5-4-10(3)12(16)8-11/h4-5,8-9,15-16H,6-7H2,1-3H3.
What are the key properties of 3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide?
3-hydroxy-N-(2-hydroxyethyl)-4-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 3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 43573118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).