2-(3-hydroxypropylamino)benzamide

C10H14N2O2 — CID 3086278

IUPAC2-(3-hydroxypropylamino)benzamide
SMILESNC(=O)c1ccccc1NCCCO
InChIInChI=1S/C10H14N2O2/c11-10(14)8-4-1-2-5-9(8)12-6-3-7-13/h1-2,4-5,12-13H,3,6-7H2,(H2,11,14)
InChIKeyIRATYSMPOJBEIJ-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.58
Rot. Bonds5

About 2-(3-hydroxypropylamino)benzamide

2-(3-hydroxypropylamino)benzamide (PubChem CID 3086278) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(3-hydroxypropylamino)benzamide.

Molecular Properties

Compound Name2-(3-hydroxypropylamino)benzamide
PubChem CID3086278
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(3-hydroxypropylamino)benzamide
SMILESNC(=O)c1ccccc1NCCCO
InChIInChI=1S/C10H14N2O2/c11-10(14)8-4-1-2-5-9(8)12-6-3-7-13/h1-2,4-5,12-13H,3,6-7H2,(H2,11,14)
InChIKeyIRATYSMPOJBEIJ-UHFFFAOYSA-N
XLogP0.58
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.58
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropylamino)benzamide?
The IUPAC name of 2-(3-hydroxypropylamino)benzamide (CID 3086278) is 2-(3-hydroxypropylamino)benzamide.
What is the SMILES notation for 2-(3-hydroxypropylamino)benzamide?
The canonical SMILES for 2-(3-hydroxypropylamino)benzamide is NC(=O)c1ccccc1NCCCO.
What is the InChIKey of 2-(3-hydroxypropylamino)benzamide?
The InChIKey is IRATYSMPOJBEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-10(14)8-4-1-2-5-9(8)12-6-3-7-13/h1-2,4-5,12-13H,3,6-7H2,(H2,11,14).
What are the key properties of 2-(3-hydroxypropylamino)benzamide?
2-(3-hydroxypropylamino)benzamide has a molecular weight of 194.23 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropylamino)benzamide is sourced from PubChem (CID 3086278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).