2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide

C12H18N2O3 — CID 65314197

IUPAC2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide
SMILESNCCc1ccccc1C(=O)NC(CO)CO
InChIInChI=1S/C12H18N2O3/c13-6-5-9-3-1-2-4-11(9)12(17)14-10(7-15)8-16/h1-4,10,15-16H,5-8,13H2,(H,14,17)
InChIKeyOWXFODBLXDNJOO-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.73
Rot. Bonds6

About 2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide

2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide (PubChem CID 65314197) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide
PubChem CID65314197
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide
SMILESNCCc1ccccc1C(=O)NC(CO)CO
InChIInChI=1S/C12H18N2O3/c13-6-5-9-3-1-2-4-11(9)12(17)14-10(7-15)8-16/h1-4,10,15-16H,5-8,13H2,(H,14,17)
InChIKeyOWXFODBLXDNJOO-UHFFFAOYSA-N
XLogP-0.73
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 107222500
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2-(2-aminoethyl)-N-[(1R)-1-cyclohexylethyl]benzamide
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2-(2-aminoethyl)-N-(1-naphthalen-1-ylethyl)benzamide;hydrochloride
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2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide
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2-[[2-(aminomethyl)benzoyl]amino]-3-hydroxypropanoic acid
CID 82547100
2-(2-aminoethyl)-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113293967
N-(1-amino-3-phenylpropan-2-yl)-2-(hydroxymethyl)benzamide
CID 70473357
4-[[2-(2-aminoethyl)benzoyl]amino]-2-hydroxybutanoic acid
CID 107836135
2-[[2-(2-aminoethyl)benzoyl]amino]-2-methylbutanoic acid
CID 79797957
2-(2-aminoethyl)-N-(2,6-dichlorophenyl)benzamide
CID 65467630
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CID 107599647

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide?
The IUPAC name of 2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide (CID 65314197) is 2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide is NCCc1ccccc1C(=O)NC(CO)CO.
What is the InChIKey of 2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide?
The InChIKey is OWXFODBLXDNJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c13-6-5-9-3-1-2-4-11(9)12(17)14-10(7-15)8-16/h1-4,10,15-16H,5-8,13H2,(H,14,17).
What are the key properties of 2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide?
2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide has a molecular weight of 238.29 g/mol, XLogP of -0.73, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(1,3-dihydroxypropan-2-yl)benzamide is sourced from PubChem (CID 65314197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).