methyl (2S)-3-ethyl-2-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]pentanoate

C24H29N3O5 — CID 95781047

IUPACmethyl (2S)-3-ethyl-2-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]pentanoate
SMILESCCC(CC)[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)C(=O)OC
InChIInChI=1S/C24H29N3O5/c1-5-15(6-2)20(21(29)32-4)25-19(28)14-27-22(30)24(3,26-23(27)31)18-12-11-16-9-7-8-10-17(16)13-18/h7-13,15,20H,5-6,14H2,1-4H3,(H,25,28)(H,26,31)/t20-,24+/m0/s1
InChIKeyPFGPCJULANCBDK-GBXCKJPGSA-N
MW439.51 g/mol
LogP2.70
Rot. Bonds8

About methyl (2S)-3-ethyl-2-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]pentanoate

methyl (2S)-3-ethyl-2-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]pentanoate (PubChem CID 95781047) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is methyl (2S)-3-ethyl-2-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl (2S)-3-ethyl-2-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]pentanoate
PubChem CID95781047
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Namemethyl (2S)-3-ethyl-2-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]pentanoate
SMILESCCC(CC)[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)C(=O)OC
InChIInChI=1S/C24H29N3O5/c1-5-15(6-2)20(21(29)32-4)25-19(28)14-27-22(30)24(3,26-23(27)31)18-12-11-16-9-7-8-10-17(16)13-18/h7-13,15,20H,5-6,14H2,1-4H3,(H,25,28)(H,26,31)/t20-,24+/m0/s1
InChIKeyPFGPCJULANCBDK-GBXCKJPGSA-N
XLogP2.70
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.70
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

N-[(2R)-5-methylhexan-2-yl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40748919
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2371043
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 51446549
methyl 2-methyl-2-[[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate
CID 55600305
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 41194369
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 41183201
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 26017425
N'-[2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetyl]-2-naphthalen-1-ylacetohydrazide
CID 55495846
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 9246846
2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]-N-(1-naphthalen-2-ylethyl)acetamide
CID 55327757
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
CID 17403701
3,5-dimethoxy-N'-[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]benzohydrazide
CID 40943642

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-ethyl-2-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]pentanoate?
The IUPAC name of methyl (2S)-3-ethyl-2-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]pentanoate (CID 95781047) is methyl (2S)-3-ethyl-2-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]pentanoate.
What is the SMILES notation for methyl (2S)-3-ethyl-2-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]pentanoate?
The canonical SMILES for methyl (2S)-3-ethyl-2-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]pentanoate is CCC(CC)[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)C(=O)OC.
What is the InChIKey of methyl (2S)-3-ethyl-2-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]pentanoate?
The InChIKey is PFGPCJULANCBDK-GBXCKJPGSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-5-15(6-2)20(21(29)32-4)25-19(28)14-27-22(30)24(3,26-23(27)31)18-12-11-16-9-7-8-10-17(16)13-18/h7-13,15,20H,5-6,14H2,1-4H3,(H,25,28)(H,26,31)/t20-,24+/m0/s1.
What are the key properties of methyl (2S)-3-ethyl-2-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]pentanoate?
methyl (2S)-3-ethyl-2-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]pentanoate has a molecular weight of 439.51 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-ethyl-2-[[2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]pentanoate is sourced from PubChem (CID 95781047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).