3-ethyl-2-hydroxy-1-phenylmethoxy-1,3-diazinane-4-carboxamide

C14H21N3O3 — CID 139493694

IUPAC3-ethyl-2-hydroxy-1-phenylmethoxy-1,3-diazinane-4-carboxamide
SMILESCCN1C(C(N)=O)CCN(OCc2ccccc2)C1O
InChIInChI=1S/C14H21N3O3/c1-2-16-12(13(15)18)8-9-17(14(16)19)20-10-11-6-4-3-5-7-11/h3-7,12,14,19H,2,8-10H2,1H3,(H2,15,18)
InChIKeyWYZPOCGVTNGYKG-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.28
Rot. Bonds5

About 3-ethyl-2-hydroxy-1-phenylmethoxy-1,3-diazinane-4-carboxamide

3-ethyl-2-hydroxy-1-phenylmethoxy-1,3-diazinane-4-carboxamide (PubChem CID 139493694) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-ethyl-2-hydroxy-1-phenylmethoxy-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-2-hydroxy-1-phenylmethoxy-1,3-diazinane-4-carboxamide
PubChem CID139493694
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-ethyl-2-hydroxy-1-phenylmethoxy-1,3-diazinane-4-carboxamide
SMILESCCN1C(C(N)=O)CCN(OCc2ccccc2)C1O
InChIInChI=1S/C14H21N3O3/c1-2-16-12(13(15)18)8-9-17(14(16)19)20-10-11-6-4-3-5-7-11/h3-7,12,14,19H,2,8-10H2,1H3,(H2,15,18)
InChIKeyWYZPOCGVTNGYKG-UHFFFAOYSA-N
XLogP0.28
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-3-ethyl-N-methoxy-2-oxo-1-phenylmethoxy-1,3-diazinane-4-carboxamide
CID 135242988
methyl (2R,5S)-1-benzyl-5-carbamoylpyrrolidine-2-carboxylate
CID 57408622
1-O-benzyl 2-O-methyl (2R,5R)-5-carbamoylpyrrolidine-1,2-dicarboxylate
CID 57408271
1-O-benzyl 4-O-ethyl (2R,4S)-2-carbamoylpiperidine-1,4-dicarboxylate
CID 129406668
ethyl 2-oxo-6-(1-phenylmethoxypiperidin-4-yl)hexanoate
CID 22168407
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 18520553
1,1-dioxo-4-phenylmethoxy-1,4-thiazinan-3-ol
CID 154408086
benzyl 1-(1-phenylpropyl)azetidine-2-carboxylate
CID 23303238
dibenzyl 1-benzylazetidine-2,4-dicarboxylate
CID 14654391
(2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid
CID 68786469
1-O-benzyl 2-O,5-O-diethyl (2S,5R)-pyrrolidine-1,2,5-tricarboxylate
CID 126495779

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hydroxy-1-phenylmethoxy-1,3-diazinane-4-carboxamide?
The IUPAC name of 3-ethyl-2-hydroxy-1-phenylmethoxy-1,3-diazinane-4-carboxamide (CID 139493694) is 3-ethyl-2-hydroxy-1-phenylmethoxy-1,3-diazinane-4-carboxamide.
What is the SMILES notation for 3-ethyl-2-hydroxy-1-phenylmethoxy-1,3-diazinane-4-carboxamide?
The canonical SMILES for 3-ethyl-2-hydroxy-1-phenylmethoxy-1,3-diazinane-4-carboxamide is CCN1C(C(N)=O)CCN(OCc2ccccc2)C1O.
What is the InChIKey of 3-ethyl-2-hydroxy-1-phenylmethoxy-1,3-diazinane-4-carboxamide?
The InChIKey is WYZPOCGVTNGYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-16-12(13(15)18)8-9-17(14(16)19)20-10-11-6-4-3-5-7-11/h3-7,12,14,19H,2,8-10H2,1H3,(H2,15,18).
What are the key properties of 3-ethyl-2-hydroxy-1-phenylmethoxy-1,3-diazinane-4-carboxamide?
3-ethyl-2-hydroxy-1-phenylmethoxy-1,3-diazinane-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hydroxy-1-phenylmethoxy-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139493694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).