3-(2-hydroxyethyl)-N-phenyl-1,3-diazinane-1-carboxamide

C13H19N3O2 — CID 102437931

IUPAC3-(2-hydroxyethyl)-N-phenyl-1,3-diazinane-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCN(CCO)C1
InChIInChI=1S/C13H19N3O2/c17-10-9-15-7-4-8-16(11-15)13(18)14-12-5-2-1-3-6-12/h1-3,5-6,17H,4,7-11H2,(H,14,18)
InChIKeyQGOGLALPBUVSRE-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.18
Rot. Bonds3

About 3-(2-hydroxyethyl)-N-phenyl-1,3-diazinane-1-carboxamide

3-(2-hydroxyethyl)-N-phenyl-1,3-diazinane-1-carboxamide (PubChem CID 102437931) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-N-phenyl-1,3-diazinane-1-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-N-phenyl-1,3-diazinane-1-carboxamide
PubChem CID102437931
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-(2-hydroxyethyl)-N-phenyl-1,3-diazinane-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCN(CCO)C1
InChIInChI=1S/C13H19N3O2/c17-10-9-15-7-4-8-16(11-15)13(18)14-12-5-2-1-3-6-12/h1-3,5-6,17H,4,7-11H2,(H,14,18)
InChIKeyQGOGLALPBUVSRE-UHFFFAOYSA-N
XLogP1.18
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 43252398
4-(4-aminobutyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 43252424
4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid
CID 61202930
3-benzyl-N-(3,4-dichlorophenyl)-1,3-diazinane-1-carboxamide
CID 5043777
N-phenyl-4-(2-phenylacetyl)-1,4-diazepane-1-carboxamide
CID 110811558
N-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
CID 63310216
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 63308450
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 3030092
9-[4-[4-(phenylcarbamoyl)-1,4-diazepan-1-yl]butyl]fluorene-9-carboxylic acid
CID 150262037
2-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]benzoic acid
CID 107214390
N-[4-(3-hydroxypropyl)phenyl]azetidine-1-carboxamide
CID 143227744

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-N-phenyl-1,3-diazinane-1-carboxamide?
The IUPAC name of 3-(2-hydroxyethyl)-N-phenyl-1,3-diazinane-1-carboxamide (CID 102437931) is 3-(2-hydroxyethyl)-N-phenyl-1,3-diazinane-1-carboxamide.
What is the SMILES notation for 3-(2-hydroxyethyl)-N-phenyl-1,3-diazinane-1-carboxamide?
The canonical SMILES for 3-(2-hydroxyethyl)-N-phenyl-1,3-diazinane-1-carboxamide is O=C(Nc1ccccc1)N1CCCN(CCO)C1.
What is the InChIKey of 3-(2-hydroxyethyl)-N-phenyl-1,3-diazinane-1-carboxamide?
The InChIKey is QGOGLALPBUVSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-10-9-15-7-4-8-16(11-15)13(18)14-12-5-2-1-3-6-12/h1-3,5-6,17H,4,7-11H2,(H,14,18).
What are the key properties of 3-(2-hydroxyethyl)-N-phenyl-1,3-diazinane-1-carboxamide?
3-(2-hydroxyethyl)-N-phenyl-1,3-diazinane-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-N-phenyl-1,3-diazinane-1-carboxamide is sourced from PubChem (CID 102437931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).