(4S)-3-ethyl-N-methoxy-2-oxo-1-phenylmethoxy-1,3-diazinane-4-carboxamide

C15H21N3O4 — CID 135242988

IUPAC(4S)-3-ethyl-N-methoxy-2-oxo-1-phenylmethoxy-1,3-diazinane-4-carboxamide
SMILESCCN1C(=O)N(OCc2ccccc2)CC[C@H]1C(=O)NOC
InChIInChI=1S/C15H21N3O4/c1-3-17-13(14(19)16-21-2)9-10-18(15(17)20)22-11-12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyHZERNAIMGUIAHQ-ZDUSSCGKSA-N
MW307.35 g/mol
LogP1.31
Rot. Bonds6

About (4S)-3-ethyl-N-methoxy-2-oxo-1-phenylmethoxy-1,3-diazinane-4-carboxamide

(4S)-3-ethyl-N-methoxy-2-oxo-1-phenylmethoxy-1,3-diazinane-4-carboxamide (PubChem CID 135242988) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is (4S)-3-ethyl-N-methoxy-2-oxo-1-phenylmethoxy-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-ethyl-N-methoxy-2-oxo-1-phenylmethoxy-1,3-diazinane-4-carboxamide
PubChem CID135242988
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name(4S)-3-ethyl-N-methoxy-2-oxo-1-phenylmethoxy-1,3-diazinane-4-carboxamide
SMILESCCN1C(=O)N(OCc2ccccc2)CC[C@H]1C(=O)NOC
InChIInChI=1S/C15H21N3O4/c1-3-17-13(14(19)16-21-2)9-10-18(15(17)20)22-11-12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyHZERNAIMGUIAHQ-ZDUSSCGKSA-N
XLogP1.31
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-2-hydroxy-1-phenylmethoxy-1,3-diazinane-4-carboxamide
CID 139493694
3-(methylamino)-1-phenylmethoxypyrrolidin-2-one
CID 69151134
tert-butyl (2R)-2-(phenylmethoxycarbamoyl)azetidine-1-carboxylate
CID 87540100
benzyl (2S)-1-ethyl-6-oxopiperidine-2-carboxylate
CID 129268188
3-cyclopropyl-2-(2-oxo-3-phenylmethoxyimidazolidin-1-yl)propanoic acid
CID 155352899
(2S)-7-oxo-6-phenylmethoxy-N-propoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 144643530
dimethyl (2S,4R)-1-benzylazetidine-2,4-dicarboxylate
CID 14654381
tert-butyl N-[(3S)-2-oxo-1-phenylmethoxyazepan-3-yl]carbamate
CID 165341882
3-(2-methylpropanethioyl)-1-phenylmethoxypyrrolidin-2-one
CID 156716509
(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide
CID 11345650
(2S,5R)-N-[[(3R)-1-methylpiperidin-3-yl]methoxy]-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxamide
CID 159513179
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617

Frequently Asked Questions

What is the IUPAC name of (4S)-3-ethyl-N-methoxy-2-oxo-1-phenylmethoxy-1,3-diazinane-4-carboxamide?
The IUPAC name of (4S)-3-ethyl-N-methoxy-2-oxo-1-phenylmethoxy-1,3-diazinane-4-carboxamide (CID 135242988) is (4S)-3-ethyl-N-methoxy-2-oxo-1-phenylmethoxy-1,3-diazinane-4-carboxamide.
What is the SMILES notation for (4S)-3-ethyl-N-methoxy-2-oxo-1-phenylmethoxy-1,3-diazinane-4-carboxamide?
The canonical SMILES for (4S)-3-ethyl-N-methoxy-2-oxo-1-phenylmethoxy-1,3-diazinane-4-carboxamide is CCN1C(=O)N(OCc2ccccc2)CC[C@H]1C(=O)NOC.
What is the InChIKey of (4S)-3-ethyl-N-methoxy-2-oxo-1-phenylmethoxy-1,3-diazinane-4-carboxamide?
The InChIKey is HZERNAIMGUIAHQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-3-17-13(14(19)16-21-2)9-10-18(15(17)20)22-11-12-7-5-4-6-8-12/h4-8,13H,3,9-11H2,1-2H3,(H,16,19)/t13-/m0/s1.
What are the key properties of (4S)-3-ethyl-N-methoxy-2-oxo-1-phenylmethoxy-1,3-diazinane-4-carboxamide?
(4S)-3-ethyl-N-methoxy-2-oxo-1-phenylmethoxy-1,3-diazinane-4-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-ethyl-N-methoxy-2-oxo-1-phenylmethoxy-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 135242988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).