3-(2-hydroxyethylamino)-N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide

C15H21N5O3 — CID 166376183

IUPAC3-(2-hydroxyethylamino)-N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide
SMILESCC(O)c1n[nH]c(C(C)NC(=O)c2cccc(NCCO)c2)n1
InChIInChI=1S/C15H21N5O3/c1-9(13-18-14(10(2)22)20-19-13)17-15(23)11-4-3-5-12(8-11)16-6-7-21/h3-5,8-10,16,21-22H,6-7H2,1-2H3,(H,17,23)(H,18,19,20)
InChIKeyCCEDRONXAGIBKO-UHFFFAOYSA-N
MW319.37 g/mol
LogP0.75
Rot. Bonds7

About 3-(2-hydroxyethylamino)-N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide

3-(2-hydroxyethylamino)-N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide (PubChem CID 166376183) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-(2-hydroxyethylamino)-N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-(2-hydroxyethylamino)-N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide
PubChem CID166376183
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name3-(2-hydroxyethylamino)-N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide
SMILESCC(O)c1n[nH]c(C(C)NC(=O)c2cccc(NCCO)c2)n1
InChIInChI=1S/C15H21N5O3/c1-9(13-18-14(10(2)22)20-19-13)17-15(23)11-4-3-5-12(8-11)16-6-7-21/h3-5,8-10,16,21-22H,6-7H2,1-2H3,(H,17,23)(H,18,19,20)
InChIKeyCCEDRONXAGIBKO-UHFFFAOYSA-N
XLogP0.75
TPSA123.16 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]-6-thiophen-3-ylpyridine-3-carboxamide
CID 166356465
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3-(3-hydroxy-3-methylbutyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]benzamide
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N-[(2S)-1-[[(1R)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 124725687
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
3-(3-hydroxybutylamino)benzoic acid
CID 102823082
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide
CID 103716304
3-(benzylamino)benzoic acid;3-(benzylamino)-N-propan-2-ylbenzamide
CID 158813508
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-fluorobenzamide
CID 18116392
N-[(2R)-1-hydroxypropan-2-yl]-3-(propan-2-ylamino)benzamide
CID 97329344
N-propan-2-yl-3-(1H-pyrrol-2-ylmethylamino)benzamide
CID 62329239
3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]-N-propan-2-ylbenzamide
CID 54833812

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylamino)-N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide?
The IUPAC name of 3-(2-hydroxyethylamino)-N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide (CID 166376183) is 3-(2-hydroxyethylamino)-N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 3-(2-hydroxyethylamino)-N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide?
The canonical SMILES for 3-(2-hydroxyethylamino)-N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide is CC(O)c1n[nH]c(C(C)NC(=O)c2cccc(NCCO)c2)n1.
What is the InChIKey of 3-(2-hydroxyethylamino)-N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide?
The InChIKey is CCEDRONXAGIBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-9(13-18-14(10(2)22)20-19-13)17-15(23)11-4-3-5-12(8-11)16-6-7-21/h3-5,8-10,16,21-22H,6-7H2,1-2H3,(H,17,23)(H,18,19,20).
What are the key properties of 3-(2-hydroxyethylamino)-N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide?
3-(2-hydroxyethylamino)-N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide has a molecular weight of 319.37 g/mol, XLogP of 0.75, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylamino)-N-[1-[3-(1-hydroxyethyl)-1H-1,2,4-triazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 166376183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).