(5R)-5-ethyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-methylimidazolidine-2,4-dione

C16H19N3O3 — CID 129421603

IUPAC(5R)-5-ethyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-methylimidazolidine-2,4-dione
SMILESCC[C@@]1(C)NC(=O)N(N=C/C=C/c2ccccc2OC)C1=O
InChIInChI=1S/C16H19N3O3/c1-4-16(2)14(20)19(15(21)18-16)17-11-7-9-12-8-5-6-10-13(12)22-3/h5-11H,4H2,1-3H3,(H,18,21)/b9-7+,17-11?/t16-/m1/s1
InChIKeyWDVOMVDHSGYROV-LALNTXRSSA-N
MW301.35 g/mol
LogP2.41
Rot. Bonds5

About (5R)-5-ethyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-methylimidazolidine-2,4-dione

(5R)-5-ethyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-methylimidazolidine-2,4-dione (PubChem CID 129421603) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (5R)-5-ethyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-methylimidazolidine-2,4-dione
PubChem CID129421603
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(5R)-5-ethyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-methylimidazolidine-2,4-dione
SMILESCC[C@@]1(C)NC(=O)N(N=C/C=C/c2ccccc2OC)C1=O
InChIInChI=1S/C16H19N3O3/c1-4-16(2)14(20)19(15(21)18-16)17-11-7-9-12-8-5-6-10-13(12)22-3/h5-11H,4H2,1-3H3,(H,18,21)/b9-7+,17-11?/t16-/m1/s1
InChIKeyWDVOMVDHSGYROV-LALNTXRSSA-N
XLogP2.41
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]imidazolidine-2,4-dione
CID 18280814
(5S)-3-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 135852536
(5R)-5-ethyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]-5-phenylimidazolidine-2,4-dione
CID 9296744
(5R)-3-[(2,6-difluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 2644230
3-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 18291300
(5R)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 9296516
(5R)-5-ethyl-5-phenyl-3-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]imidazolidine-2,4-dione
CID 9296728
methyl (2E)-2-[3-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-oxo-2-prop-2-enylimino-1,3-thiazolidin-4-ylidene]acetate
CID 139218440
6-amino-1-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-4-methylpyridin-2-one
CID 9024552
(5S)-3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 135852539
3-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 42912678
(5S)-5-ethyl-5-methyl-3-[(2,4,6-trimethylphenyl)methylideneamino]imidazolidine-2,4-dione
CID 2644225

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-ethyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-methylimidazolidine-2,4-dione (CID 129421603) is (5R)-5-ethyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-methylimidazolidine-2,4-dione is CC[C@@]1(C)NC(=O)N(N=C/C=C/c2ccccc2OC)C1=O.
What is the InChIKey of (5R)-5-ethyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-methylimidazolidine-2,4-dione?
The InChIKey is WDVOMVDHSGYROV-LALNTXRSSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-4-16(2)14(20)19(15(21)18-16)17-11-7-9-12-8-5-6-10-13(12)22-3/h5-11H,4H2,1-3H3,(H,18,21)/b9-7+,17-11?/t16-/m1/s1.
What are the key properties of (5R)-5-ethyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-methylimidazolidine-2,4-dione?
(5R)-5-ethyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-methylimidazolidine-2,4-dione has a molecular weight of 301.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 129421603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).