N-[(2S)-1-[(6S)-6-(2-methylpropyl)-2,3-dioxopiperazin-1-yl]propan-2-yl]-2-phenylacetamide

C19H27N3O3 — CID 24856213

IUPACN-[(2S)-1-[(6S)-6-(2-methylpropyl)-2,3-dioxopiperazin-1-yl]propan-2-yl]-2-phenylacetamide
SMILESCC(C)C[C@H]1CNC(=O)C(=O)N1C[C@H](C)NC(=O)Cc1ccccc1
InChIInChI=1S/C19H27N3O3/c1-13(2)9-16-11-20-18(24)19(25)22(16)12-14(3)21-17(23)10-15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3,(H,20,24)(H,21,23)/t14-,16-/m0/s1
InChIKeyQPWRUEVTBLYWBE-HOCLYGCPSA-N
MW345.44 g/mol
LogP1.11
Rot. Bonds7

About N-[(2S)-1-[(6S)-6-(2-methylpropyl)-2,3-dioxopiperazin-1-yl]propan-2-yl]-2-phenylacetamide

N-[(2S)-1-[(6S)-6-(2-methylpropyl)-2,3-dioxopiperazin-1-yl]propan-2-yl]-2-phenylacetamide (PubChem CID 24856213) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[(2S)-1-[(6S)-6-(2-methylpropyl)-2,3-dioxopiperazin-1-yl]propan-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2S)-1-[(6S)-6-(2-methylpropyl)-2,3-dioxopiperazin-1-yl]propan-2-yl]-2-phenylacetamide
PubChem CID24856213
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[(2S)-1-[(6S)-6-(2-methylpropyl)-2,3-dioxopiperazin-1-yl]propan-2-yl]-2-phenylacetamide
SMILESCC(C)C[C@H]1CNC(=O)C(=O)N1C[C@H](C)NC(=O)Cc1ccccc1
InChIInChI=1S/C19H27N3O3/c1-13(2)9-16-11-20-18(24)19(25)22(16)12-14(3)21-17(23)10-15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3,(H,20,24)(H,21,23)/t14-,16-/m0/s1
InChIKeyQPWRUEVTBLYWBE-HOCLYGCPSA-N
XLogP1.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Lisdexamfetamine
CID 11597698
Phe-Gly
CID 6992304
Antineoplaston A10
CID 56260
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CID 194777
Pexiganan
CID 16132253
L-Phenylalanyl-L-alanine
CID 5488196
F 1459
CID 162185
L-Phenylalanyl-L-leucine
CID 76808
Methyl-phe-pro-amino-cyclohexylglycine
CID 448763
AC-(D)Phe-pro-borolys-OH
CID 5288064
Cyclo(L-Phe-L-Pro)
CID 443440
Almiramide B
CID 46237303

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(6S)-6-(2-methylpropyl)-2,3-dioxopiperazin-1-yl]propan-2-yl]-2-phenylacetamide?
The IUPAC name of N-[(2S)-1-[(6S)-6-(2-methylpropyl)-2,3-dioxopiperazin-1-yl]propan-2-yl]-2-phenylacetamide (CID 24856213) is N-[(2S)-1-[(6S)-6-(2-methylpropyl)-2,3-dioxopiperazin-1-yl]propan-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(2S)-1-[(6S)-6-(2-methylpropyl)-2,3-dioxopiperazin-1-yl]propan-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[(2S)-1-[(6S)-6-(2-methylpropyl)-2,3-dioxopiperazin-1-yl]propan-2-yl]-2-phenylacetamide is CC(C)C[C@H]1CNC(=O)C(=O)N1C[C@H](C)NC(=O)Cc1ccccc1.
What is the InChIKey of N-[(2S)-1-[(6S)-6-(2-methylpropyl)-2,3-dioxopiperazin-1-yl]propan-2-yl]-2-phenylacetamide?
The InChIKey is QPWRUEVTBLYWBE-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13(2)9-16-11-20-18(24)19(25)22(16)12-14(3)21-17(23)10-15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3,(H,20,24)(H,21,23)/t14-,16-/m0/s1.
What are the key properties of N-[(2S)-1-[(6S)-6-(2-methylpropyl)-2,3-dioxopiperazin-1-yl]propan-2-yl]-2-phenylacetamide?
N-[(2S)-1-[(6S)-6-(2-methylpropyl)-2,3-dioxopiperazin-1-yl]propan-2-yl]-2-phenylacetamide has a molecular weight of 345.44 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(6S)-6-(2-methylpropyl)-2,3-dioxopiperazin-1-yl]propan-2-yl]-2-phenylacetamide is sourced from PubChem (CID 24856213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).