(2S,3R)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methyl-2-phenylpentanamide

C17H23N3O3 — CID 95339120

IUPAC(2S,3R)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methyl-2-phenylpentanamide
SMILESCC[C@@H](C)[C@H](C(=O)NCCN1C(=O)CNC1=O)c1ccccc1
InChIInChI=1S/C17H23N3O3/c1-3-12(2)15(13-7-5-4-6-8-13)16(22)18-9-10-20-14(21)11-19-17(20)23/h4-8,12,15H,3,9-11H2,1-2H3,(H,18,22)(H,19,23)/t12-,15+/m1/s1
InChIKeyHXHRQVMBVNZIDQ-DOMZBBRYSA-N
MW317.39 g/mol
LogP1.48
Rot. Bonds7

About (2S,3R)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methyl-2-phenylpentanamide

(2S,3R)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methyl-2-phenylpentanamide (PubChem CID 95339120) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2S,3R)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methyl-2-phenylpentanamide.

Molecular Properties

Compound Name(2S,3R)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methyl-2-phenylpentanamide
PubChem CID95339120
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(2S,3R)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methyl-2-phenylpentanamide
SMILESCC[C@@H](C)[C@H](C(=O)NCCN1C(=O)CNC1=O)c1ccccc1
InChIInChI=1S/C17H23N3O3/c1-3-12(2)15(13-7-5-4-6-8-13)16(22)18-9-10-20-14(21)11-19-17(20)23/h4-8,12,15H,3,9-11H2,1-2H3,(H,18,22)(H,19,23)/t12-,15+/m1/s1
InChIKeyHXHRQVMBVNZIDQ-DOMZBBRYSA-N
XLogP1.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-phenylacetamide
CID 110719095
N-(3-bromobutyl)-3-methyl-2-phenylpentanamide
CID 114312530
(2S,3R)-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]butyl]-3-methyl-2-phenylpentanamide
CID 97025367
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-(3,3-diphenylpropyl)-3-ethylguanidine;hydroiodide
CID 111829178
N-but-3-enyl-3-methyl-2-phenylpentanamide
CID 113466088
3-methyl-N-(2-phenoxyethyl)-2-phenylpentanamide
CID 112794606
N-[2-(2-methoxyethylamino)ethyl]-3-methyl-2-phenylpentanamide
CID 82990815
[(2S)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl] 4-(2,5-dioxoimidazolidin-1-yl)butanoate
CID 51968200
N-(3-chloro-2-methylpropyl)-3-methyl-2-phenylpentanamide
CID 114302680
N-(2-aminobutyl)-3-methyl-2-phenylpentanamide
CID 63731148
3-methyl-2-phenyl-N-(2-pyrrolidin-2-ylethyl)pentanamide
CID 114793980
1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-(2,3-diphenylpropyl)-2-methylguanidine;hydroiodide
CID 109389807

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methyl-2-phenylpentanamide?
The IUPAC name of (2S,3R)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methyl-2-phenylpentanamide (CID 95339120) is (2S,3R)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methyl-2-phenylpentanamide.
What is the SMILES notation for (2S,3R)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methyl-2-phenylpentanamide?
The canonical SMILES for (2S,3R)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methyl-2-phenylpentanamide is CC[C@@H](C)[C@H](C(=O)NCCN1C(=O)CNC1=O)c1ccccc1.
What is the InChIKey of (2S,3R)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methyl-2-phenylpentanamide?
The InChIKey is HXHRQVMBVNZIDQ-DOMZBBRYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-12(2)15(13-7-5-4-6-8-13)16(22)18-9-10-20-14(21)11-19-17(20)23/h4-8,12,15H,3,9-11H2,1-2H3,(H,18,22)(H,19,23)/t12-,15+/m1/s1.
What are the key properties of (2S,3R)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methyl-2-phenylpentanamide?
(2S,3R)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methyl-2-phenylpentanamide has a molecular weight of 317.39 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-methyl-2-phenylpentanamide is sourced from PubChem (CID 95339120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).