(2S)-2-(4-cyanophenoxy)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide

C16H18N4O4 — CID 41097159

IUPAC(2S)-2-(4-cyanophenoxy)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
SMILESCC[C@@]1(C)NC(=O)N(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)C1=O
InChIInChI=1S/C16H18N4O4/c1-4-16(3)14(22)20(15(23)18-16)19-13(21)10(2)24-12-7-5-11(9-17)6-8-12/h5-8,10H,4H2,1-3H3,(H,18,23)(H,19,21)/t10-,16+/m0/s1
InChIKeyANIFHTMXNFGYKB-MGPLVRAMSA-N
MW330.34 g/mol
LogP1.08
Rot. Bonds5

About (2S)-2-(4-cyanophenoxy)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide

(2S)-2-(4-cyanophenoxy)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide (PubChem CID 41097159) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is (2S)-2-(4-cyanophenoxy)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-cyanophenoxy)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
PubChem CID41097159
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name(2S)-2-(4-cyanophenoxy)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
SMILESCC[C@@]1(C)NC(=O)N(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)C1=O
InChIInChI=1S/C16H18N4O4/c1-4-16(3)14(22)20(15(23)18-16)19-13(21)10(2)24-12-7-5-11(9-17)6-8-12/h5-8,10H,4H2,1-3H3,(H,18,23)(H,19,21)/t10-,16+/m0/s1
InChIKeyANIFHTMXNFGYKB-MGPLVRAMSA-N
XLogP1.08
TPSA111.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 9291421
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(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenoxy)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-cyanophenoxy)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide?
The IUPAC name of (2S)-2-(4-cyanophenoxy)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide (CID 41097159) is (2S)-2-(4-cyanophenoxy)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide.
What is the SMILES notation for (2S)-2-(4-cyanophenoxy)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide?
The canonical SMILES for (2S)-2-(4-cyanophenoxy)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide is CC[C@@]1(C)NC(=O)N(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)C1=O.
What is the InChIKey of (2S)-2-(4-cyanophenoxy)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide?
The InChIKey is ANIFHTMXNFGYKB-MGPLVRAMSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-4-16(3)14(22)20(15(23)18-16)19-13(21)10(2)24-12-7-5-11(9-17)6-8-12/h5-8,10H,4H2,1-3H3,(H,18,23)(H,19,21)/t10-,16+/m0/s1.
What are the key properties of (2S)-2-(4-cyanophenoxy)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide?
(2S)-2-(4-cyanophenoxy)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide has a molecular weight of 330.34 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-cyanophenoxy)-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide is sourced from PubChem (CID 41097159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).