3-(2-hydroxypropan-2-yl)-N-(3-hydroxypropyl)benzamide

C13H19NO3 — CID 110486052

IUPAC3-(2-hydroxypropan-2-yl)-N-(3-hydroxypropyl)benzamide
SMILESCC(C)(O)c1cccc(C(=O)NCCCO)c1
InChIInChI=1S/C13H19NO3/c1-13(2,17)11-6-3-5-10(9-11)12(16)14-7-4-8-15/h3,5-6,9,15,17H,4,7-8H2,1-2H3,(H,14,16)
InChIKeySIHAATYSFPVUCM-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.03
Rot. Bonds5

About 3-(2-hydroxypropan-2-yl)-N-(3-hydroxypropyl)benzamide

3-(2-hydroxypropan-2-yl)-N-(3-hydroxypropyl)benzamide (PubChem CID 110486052) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(2-hydroxypropan-2-yl)-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name3-(2-hydroxypropan-2-yl)-N-(3-hydroxypropyl)benzamide
PubChem CID110486052
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-(2-hydroxypropan-2-yl)-N-(3-hydroxypropyl)benzamide
SMILESCC(C)(O)c1cccc(C(=O)NCCCO)c1
InChIInChI=1S/C13H19NO3/c1-13(2,17)11-6-3-5-10(9-11)12(16)14-7-4-8-15/h3,5-6,9,15,17H,4,7-8H2,1-2H3,(H,14,16)
InChIKeySIHAATYSFPVUCM-UHFFFAOYSA-N
XLogP1.03
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydroxypentyl)-3-(2-hydroxypropan-2-yl)benzamide
CID 110486103
N-(3-formamidopropyl)-3-(2-hydroxypropan-2-yl)benzamide
CID 110486069
N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-hydroxypropan-2-yl)benzamide
CID 110486078
N-(2,2-dimethoxyethyl)-3-(2-hydroxypropan-2-yl)benzamide
CID 110486080
3-tert-butyl-N-[2-(tert-butylamino)ethyl]benzamide
CID 134167211
N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide
CID 91445268
methyl 3-(6-hydroxyhexylcarbamoyl)benzoate
CID 108799701
3-acetamido-N-(4-hydroxybutyl)benzamide
CID 106843063
3-(2-hydroxypropan-2-yl)-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110486058
4-tert-butyl-N-(3-hydroxypropyl)-2,6-dimethylbenzamide
CID 96666562
3-bromo-N-(5-hydroxypentyl)benzamide
CID 107317897
carbon dioxide;N-(3-hydroxypropyl)-3-(2-methylpropyl)benzamide
CID 157229894

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropan-2-yl)-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 3-(2-hydroxypropan-2-yl)-N-(3-hydroxypropyl)benzamide (CID 110486052) is 3-(2-hydroxypropan-2-yl)-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 3-(2-hydroxypropan-2-yl)-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 3-(2-hydroxypropan-2-yl)-N-(3-hydroxypropyl)benzamide is CC(C)(O)c1cccc(C(=O)NCCCO)c1.
What is the InChIKey of 3-(2-hydroxypropan-2-yl)-N-(3-hydroxypropyl)benzamide?
The InChIKey is SIHAATYSFPVUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,17)11-6-3-5-10(9-11)12(16)14-7-4-8-15/h3,5-6,9,15,17H,4,7-8H2,1-2H3,(H,14,16).
What are the key properties of 3-(2-hydroxypropan-2-yl)-N-(3-hydroxypropyl)benzamide?
3-(2-hydroxypropan-2-yl)-N-(3-hydroxypropyl)benzamide has a molecular weight of 237.30 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropan-2-yl)-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 110486052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).