(4R,5S)-4-(4-ethoxyphenyl)-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide

C20H21N3O3 — CID 2301558

IUPAC(4R,5S)-4-(4-ethoxyphenyl)-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide
SMILESC=C1NC(=O)NC(c2ccc(OCC)cc2)[C@@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C20H21N3O3/c1-3-26-16-11-9-14(10-12-16)18-17(13(2)21-20(25)23-18)19(24)22-15-7-5-4-6-8-15/h4-12,17-18H,2-3H2,1H3,(H,22,24)(H2,21,23,25)/t17-,18?/m1/s1
InChIKeyHAASQGOZODUBPP-QNSVNVJESA-N
MW351.41 g/mol
LogP3.21
Rot. Bonds5

About (4R,5S)-4-(4-ethoxyphenyl)-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide

(4R,5S)-4-(4-ethoxyphenyl)-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide (PubChem CID 2301558) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (4R,5S)-4-(4-ethoxyphenyl)-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound Name(4R,5S)-4-(4-ethoxyphenyl)-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide
PubChem CID2301558
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(4R,5S)-4-(4-ethoxyphenyl)-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide
SMILESC=C1NC(=O)NC(c2ccc(OCC)cc2)[C@@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C20H21N3O3/c1-3-26-16-11-9-14(10-12-16)18-17(13(2)21-20(25)23-18)19(24)22-15-7-5-4-6-8-15/h4-12,17-18H,2-3H2,1H3,(H,22,24)(H2,21,23,25)/t17-,18?/m1/s1
InChIKeyHAASQGOZODUBPP-QNSVNVJESA-N
XLogP3.21
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (4R,5S)-4-(4-ethoxyphenyl)-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5R)-4-(4-ethylphenyl)-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide
CID 2429685
(4R,5S)-4-[4-(difluoromethoxy)phenyl]-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide
CID 2424674
(2S)-1-N,2-N-bis(4-ethoxyphenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 21177970
ethyl (5R,6S)-4-methylidene-2-oxo-6-(4-propoxyphenyl)-1,3-diazinane-5-carboxylate
CID 2141555
(4S,5S)-4-(4-ethylphenyl)-N-(2-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide
CID 2415115
benzyl 4-methylidene-2-oxo-6-(4-phenylmethoxyphenyl)-1,3-diazinane-5-carboxylate
CID 3648309
(4-methylcyclohexyl) (5R,6S)-4-methylidene-2-oxo-6-(4-propoxyphenyl)-1,3-diazinane-5-carboxylate
CID 2054466
(4S,5R)-4-[4-(difluoromethoxy)phenyl]-N-(2-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide
CID 2415121
methyl 4-(4-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 4574997
(4R,5S)-N-(2-fluorophenyl)-4-(4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide
CID 2138732
2-phenylethyl 4-methylidene-2-oxo-6-(4-phenylmethoxyphenyl)-1,3-diazinane-5-carboxylate
CID 4067959
(4R,5S)-N-(4-bromophenyl)-4-[3-chloro-4-(cyanomethoxy)-5-ethoxyphenyl]-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide
CID 2242378

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-(4-ethoxyphenyl)-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide?
The IUPAC name of (4R,5S)-4-(4-ethoxyphenyl)-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide (CID 2301558) is (4R,5S)-4-(4-ethoxyphenyl)-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide.
What is the SMILES notation for (4R,5S)-4-(4-ethoxyphenyl)-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide?
The canonical SMILES for (4R,5S)-4-(4-ethoxyphenyl)-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide is C=C1NC(=O)NC(c2ccc(OCC)cc2)[C@@H]1C(=O)Nc1ccccc1.
What is the InChIKey of (4R,5S)-4-(4-ethoxyphenyl)-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide?
The InChIKey is HAASQGOZODUBPP-QNSVNVJESA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-26-16-11-9-14(10-12-16)18-17(13(2)21-20(25)23-18)19(24)22-15-7-5-4-6-8-15/h4-12,17-18H,2-3H2,1H3,(H,22,24)(H2,21,23,25)/t17-,18?/m1/s1.
What are the key properties of (4R,5S)-4-(4-ethoxyphenyl)-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide?
(4R,5S)-4-(4-ethoxyphenyl)-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-(4-ethoxyphenyl)-6-methylidene-2-oxo-N-phenyl-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 2301558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).