[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate

C19H24N4O6 — CID 8657966

IUPAC[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
SMILESCCNC(=O)NC(=O)[C@H](OC(=O)CCN1C(=O)NC(C)(C)C1=O)c1ccccc1
InChIInChI=1S/C19H24N4O6/c1-4-20-17(27)21-15(25)14(12-8-6-5-7-9-12)29-13(24)10-11-23-16(26)19(2,3)22-18(23)28/h5-9,14H,4,10-11H2,1-3H3,(H,22,28)(H2,20,21,25,27)/t14-/m1/s1
InChIKeyUPPOBOOIZGZUGW-CQSZACIVSA-N
MW404.42 g/mol
LogP0.84
Rot. Bonds7

About [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate

[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate (PubChem CID 8657966) has the molecular formula C19H24N4O6 and a molecular weight of 404.42 g/mol. Its IUPAC name is [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate.

Molecular Properties

Compound Name[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
PubChem CID8657966
Molecular FormulaC19H24N4O6
Molecular Weight404.42 g/mol
Exact Mass404.17
IUPAC Name[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
SMILESCCNC(=O)NC(=O)[C@H](OC(=O)CCN1C(=O)NC(C)(C)C1=O)c1ccccc1
InChIInChI=1S/C19H24N4O6/c1-4-20-17(27)21-15(25)14(12-8-6-5-7-9-12)29-13(24)10-11-23-16(26)19(2,3)22-18(23)28/h5-9,14H,4,10-11H2,1-3H3,(H,22,28)(H2,20,21,25,27)/t14-/m1/s1
InChIKeyUPPOBOOIZGZUGW-CQSZACIVSA-N
XLogP0.84
TPSA133.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoate
CID 46641081
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate
CID 7851438
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-phenylacetate
CID 7875023
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 7750970
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 7810050
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)acetate
CID 55358992
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-phenoxyacetate
CID 7697638
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetate
CID 11928582
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7213113
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147468
propan-2-yl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 112722968
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-hydroxyphenyl)acetate
CID 8672082

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate?
The IUPAC name of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate (CID 8657966) is [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate.
What is the SMILES notation for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate?
The canonical SMILES for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate is CCNC(=O)NC(=O)[C@H](OC(=O)CCN1C(=O)NC(C)(C)C1=O)c1ccccc1.
What is the InChIKey of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate?
The InChIKey is UPPOBOOIZGZUGW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O6/c1-4-20-17(27)21-15(25)14(12-8-6-5-7-9-12)29-13(24)10-11-23-16(26)19(2,3)22-18(23)28/h5-9,14H,4,10-11H2,1-3H3,(H,22,28)(H2,20,21,25,27)/t14-/m1/s1.
What are the key properties of [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate?
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate has a molecular weight of 404.42 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate is sourced from PubChem (CID 8657966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).