methyl (4S,5S,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate

C18H26N2O4 — CID 16759684

IUPACmethyl (4S,5S,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate
SMILESCOCCN1C(=O)N[C@@H](CCc2ccccc2)[C@H](C(=O)OC)[C@H]1C
InChIInChI=1S/C18H26N2O4/c1-13-16(17(21)24-3)15(10-9-14-7-5-4-6-8-14)19-18(22)20(13)11-12-23-2/h4-8,13,15-16H,9-12H2,1-3H3,(H,19,22)/t13-,15+,16-/m1/s1
InChIKeyRJZZSCSWVGZKRO-VNQPRFMTSA-N
MW334.42 g/mol
LogP1.84
Rot. Bonds7

About methyl (4S,5S,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate

methyl (4S,5S,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate (PubChem CID 16759684) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl (4S,5S,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate.

Molecular Properties

Compound Namemethyl (4S,5S,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate
PubChem CID16759684
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Namemethyl (4S,5S,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate
SMILESCOCCN1C(=O)N[C@@H](CCc2ccccc2)[C@H](C(=O)OC)[C@H]1C
InChIInChI=1S/C18H26N2O4/c1-13-16(17(21)24-3)15(10-9-14-7-5-4-6-8-14)19-18(22)20(13)11-12-23-2/h4-8,13,15-16H,9-12H2,1-3H3,(H,19,22)/t13-,15+,16-/m1/s1
InChIKeyRJZZSCSWVGZKRO-VNQPRFMTSA-N
XLogP1.84
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (4S,5S,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate with MolForge

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Related Compounds

(R)-2-(3-Allyl-ureido)-3-phenyl-propionic acid methyl ester
CID 2033257
(R)-2-[(2-Ethyl-piperidine-1-carbonyl)-amino]-3-phenyl-propionic acid methyl ester
CID 16681789
methyl N-[(4-phenylbutan-2-yl)carbamoyl]-L-phenylalaninate
CID 17575566
(4S,5S,6R)-1-benzyl-2-keto-6-methyl-4-phenethyl-hexahydropyrimidine-5-carboxylic acid methyl ester
CID 16759673
ethyl 2-[(4S,5S,6R)-5-acetyl-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinan-1-yl]acetate
CID 16759623
(S)-methyl 2-(3-(3-ethoxypropyl)ureido)-3-phenylpropanoate
CID 661939
N-[(2-methylpiperidin-1-yl)carbonyl]-L-phenylalanine
CID 663469
N-[(2-ethylpiperidin-1-yl)carbonyl]-L-phenylalanine
CID 663489
(2S)-2-(2,6-dimethylmorpholine-4-carboxamido)-3-phenylpropanoic acid
CID 664127
(S)-3-Phenyl-2-(3-propyl-ureido)-propionic acid methyl ester
CID 1979191
(S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-3-methyl-pentanoic acid methyl ester
CID 9551642
4-phenylbutyl (2S)-1-(2,2-dimethylpropylcarbamoyl)piperidine-2-carboxylate
CID 10714474

Frequently Asked Questions

What is the IUPAC name of methyl (4S,5S,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate?
The IUPAC name of methyl (4S,5S,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate (CID 16759684) is methyl (4S,5S,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate.
What is the SMILES notation for methyl (4S,5S,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate?
The canonical SMILES for methyl (4S,5S,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate is COCCN1C(=O)N[C@@H](CCc2ccccc2)[C@H](C(=O)OC)[C@H]1C.
What is the InChIKey of methyl (4S,5S,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate?
The InChIKey is RJZZSCSWVGZKRO-VNQPRFMTSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-13-16(17(21)24-3)15(10-9-14-7-5-4-6-8-14)19-18(22)20(13)11-12-23-2/h4-8,13,15-16H,9-12H2,1-3H3,(H,19,22)/t13-,15+,16-/m1/s1.
What are the key properties of methyl (4S,5S,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate?
methyl (4S,5S,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S,5S,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate is sourced from PubChem (CID 16759684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).