2-diethoxyphosphoryl-N-[(1S,3R)-3-[(2-diethoxyphosphorylacetyl)amino]cyclopentyl]acetamide

C17H34N2O8P2 — CID 71511611

IUPAC2-diethoxyphosphoryl-N-[(1S,3R)-3-[(2-diethoxyphosphorylacetyl)amino]cyclopentyl]acetamide
SMILESCCOP(=O)(CC(=O)N[C@@H]1CC[C@H](NC(=O)CP(=O)(OCC)OCC)C1)OCC
InChIInChI=1S/C17H34N2O8P2/c1-5-24-28(22,25-6-2)12-16(20)18-14-9-10-15(11-14)19-17(21)13-29(23,26-7-3)27-8-4/h14-15H,5-13H2,1-4H3,(H,18,20)(H,19,21)/t14-,15+
InChIKeyOUGPIHUMVIQMBZ-GASCZTMLSA-N
MW456.41 g/mol
LogP2.67
Rot. Bonds14

About 2-diethoxyphosphoryl-N-[(1S,3R)-3-[(2-diethoxyphosphorylacetyl)amino]cyclopentyl]acetamide

2-diethoxyphosphoryl-N-[(1S,3R)-3-[(2-diethoxyphosphorylacetyl)amino]cyclopentyl]acetamide (PubChem CID 71511611) has the molecular formula C17H34N2O8P2 and a molecular weight of 456.41 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-N-[(1S,3R)-3-[(2-diethoxyphosphorylacetyl)amino]cyclopentyl]acetamide.

Molecular Properties

Compound Name2-diethoxyphosphoryl-N-[(1S,3R)-3-[(2-diethoxyphosphorylacetyl)amino]cyclopentyl]acetamide
PubChem CID71511611
Molecular FormulaC17H34N2O8P2
Molecular Weight456.41 g/mol
Exact Mass456.18
IUPAC Name2-diethoxyphosphoryl-N-[(1S,3R)-3-[(2-diethoxyphosphorylacetyl)amino]cyclopentyl]acetamide
SMILESCCOP(=O)(CC(=O)N[C@@H]1CC[C@H](NC(=O)CP(=O)(OCC)OCC)C1)OCC
InChIInChI=1S/C17H34N2O8P2/c1-5-24-28(22,25-6-2)12-16(20)18-14-9-10-15(11-14)19-17(21)13-29(23,26-7-3)27-8-4/h14-15H,5-13H2,1-4H3,(H,18,20)(H,19,21)/t14-,15+
InChIKeyOUGPIHUMVIQMBZ-GASCZTMLSA-N
XLogP2.67
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-diethoxyphosphoryl-N-(4-hydroxycyclohexyl)acetamide
CID 86592927
N-cyclohexyl-2-diethoxyphosphorylacetamide
CID 88915385
2-diethoxyphosphoryl-N-(2-hydroxycyclohexyl)acetamide
CID 86592928
2-diethoxyphosphoryl-N-(2,2-dimethylpropyl)acetamide
CID 21027139
(E)-N-cyclopropyl-4-diethoxyphosphorylbut-2-enamide
CID 134860935
N-(3-methoxycyclopentyl)butanamide
CID 103082475
2-diethoxyphosphoryl-N-phenylacetamide
CID 12520780
ethyl 2-diethoxyphosphorylacetate
CID 10911236
ethane;N-[4-(propanoylamino)cyclohexyl]propanamide
CID 144871719
2-diethoxyphosphoryl-N,N-diethylacetamide
CID 13124144
N-(3-aminocyclopentyl)propanamide
CID 83619264
N-[3-[2,2-bis[3-[(2-diethoxyphosphorylacetyl)amino]propoxymethyl]butoxy]propyl]-2-diethoxyphosphorylacetamide
CID 101424883

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-N-[(1S,3R)-3-[(2-diethoxyphosphorylacetyl)amino]cyclopentyl]acetamide?
The IUPAC name of 2-diethoxyphosphoryl-N-[(1S,3R)-3-[(2-diethoxyphosphorylacetyl)amino]cyclopentyl]acetamide (CID 71511611) is 2-diethoxyphosphoryl-N-[(1S,3R)-3-[(2-diethoxyphosphorylacetyl)amino]cyclopentyl]acetamide.
What is the SMILES notation for 2-diethoxyphosphoryl-N-[(1S,3R)-3-[(2-diethoxyphosphorylacetyl)amino]cyclopentyl]acetamide?
The canonical SMILES for 2-diethoxyphosphoryl-N-[(1S,3R)-3-[(2-diethoxyphosphorylacetyl)amino]cyclopentyl]acetamide is CCOP(=O)(CC(=O)N[C@@H]1CC[C@H](NC(=O)CP(=O)(OCC)OCC)C1)OCC.
What is the InChIKey of 2-diethoxyphosphoryl-N-[(1S,3R)-3-[(2-diethoxyphosphorylacetyl)amino]cyclopentyl]acetamide?
The InChIKey is OUGPIHUMVIQMBZ-GASCZTMLSA-N. The full InChI is InChI=1S/C17H34N2O8P2/c1-5-24-28(22,25-6-2)12-16(20)18-14-9-10-15(11-14)19-17(21)13-29(23,26-7-3)27-8-4/h14-15H,5-13H2,1-4H3,(H,18,20)(H,19,21)/t14-,15+.
What are the key properties of 2-diethoxyphosphoryl-N-[(1S,3R)-3-[(2-diethoxyphosphorylacetyl)amino]cyclopentyl]acetamide?
2-diethoxyphosphoryl-N-[(1S,3R)-3-[(2-diethoxyphosphorylacetyl)amino]cyclopentyl]acetamide has a molecular weight of 456.41 g/mol, XLogP of 2.67, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-N-[(1S,3R)-3-[(2-diethoxyphosphorylacetyl)amino]cyclopentyl]acetamide is sourced from PubChem (CID 71511611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).