2-(4-amino-1,2-dihydroxybutyl)benzamide

C11H16N2O3 — CID 171882384

IUPAC2-(4-amino-1,2-dihydroxybutyl)benzamide
SMILESNCCC(O)C(O)c1ccccc1C(N)=O
InChIInChI=1S/C11H16N2O3/c12-6-5-9(14)10(15)7-3-1-2-4-8(7)11(13)16/h1-4,9-10,14-15H,5-6,12H2,(H2,13,16)
InChIKeyKMBJAWJDWNTNHT-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.47
Rot. Bonds5

About 2-(4-amino-1,2-dihydroxybutyl)benzamide

2-(4-amino-1,2-dihydroxybutyl)benzamide (PubChem CID 171882384) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(4-amino-1,2-dihydroxybutyl)benzamide.

Molecular Properties

Compound Name2-(4-amino-1,2-dihydroxybutyl)benzamide
PubChem CID171882384
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(4-amino-1,2-dihydroxybutyl)benzamide
SMILESNCCC(O)C(O)c1ccccc1C(N)=O
InChIInChI=1S/C11H16N2O3/c12-6-5-9(14)10(15)7-3-1-2-4-8(7)11(13)16/h1-4,9-10,14-15H,5-6,12H2,(H2,13,16)
InChIKeyKMBJAWJDWNTNHT-UHFFFAOYSA-N
XLogP-0.47
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-1,2-dihydroxybutyl)benzoic acid
CID 171881130
2-(4-chloro-1,2-dihydroxybutyl)benzamide
CID 171894927
2-amino-3-(4-amino-1,2-dihydroxybutyl)benzoic acid
CID 171881717
2-(3-amino-1,2-dihydroxy-3-oxopropyl)benzamide
CID 171869290
1-[2-(1,2-dihydroxy-4-sulfanylbutyl)phenyl]ethanone
CID 171874044
4-amino-1-(2-methylsulfonylphenyl)butane-1,2-diol
CID 171881534
methyl 2-(1,2-dihydroxy-4-sulfanylbutyl)benzoate
CID 171874404
2-[(1R)-1-hydroxy-2-phenylethyl]benzamide
CID 91365302
2-(4-amino-1,2-dihydroxybutyl)-4-bromobenzoic acid
CID 171882394
2-(4-amino-1,2-dihydroxybutyl)-5-fluorobenzoic acid
CID 171881539
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,2-dihydroxybutyl)benzamide?
The IUPAC name of 2-(4-amino-1,2-dihydroxybutyl)benzamide (CID 171882384) is 2-(4-amino-1,2-dihydroxybutyl)benzamide.
What is the SMILES notation for 2-(4-amino-1,2-dihydroxybutyl)benzamide?
The canonical SMILES for 2-(4-amino-1,2-dihydroxybutyl)benzamide is NCCC(O)C(O)c1ccccc1C(N)=O.
What is the InChIKey of 2-(4-amino-1,2-dihydroxybutyl)benzamide?
The InChIKey is KMBJAWJDWNTNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c12-6-5-9(14)10(15)7-3-1-2-4-8(7)11(13)16/h1-4,9-10,14-15H,5-6,12H2,(H2,13,16).
What are the key properties of 2-(4-amino-1,2-dihydroxybutyl)benzamide?
2-(4-amino-1,2-dihydroxybutyl)benzamide has a molecular weight of 224.26 g/mol, XLogP of -0.47, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,2-dihydroxybutyl)benzamide is sourced from PubChem (CID 171882384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).