(Z)-N-formyl-3-[methyl-[5-(phenylmethoxyphosphanyloxymethyl)oxolan-2-yl]amino]prop-2-enamide

C17H23N2O5P — CID 144948845

IUPAC(Z)-N-formyl-3-[methyl-[5-(phenylmethoxyphosphanyloxymethyl)oxolan-2-yl]amino]prop-2-enamide
SMILESCN(/C=C\C(=O)NC=O)C1CCC(COPOCc2ccccc2)O1
InChIInChI=1S/C17H23N2O5P/c1-19(10-9-16(21)18-13-20)17-8-7-15(24-17)12-23-25-22-11-14-5-3-2-4-6-14/h2-6,9-10,13,15,17,25H,7-8,11-12H2,1H3,(H,18,20,21)/b10-9-
InChIKeyKIJFMDMHRAKWAK-KTKRTIGZSA-N
MW366.35 g/mol
LogP1.95
Rot. Bonds10

About (Z)-N-formyl-3-[methyl-[5-(phenylmethoxyphosphanyloxymethyl)oxolan-2-yl]amino]prop-2-enamide

(Z)-N-formyl-3-[methyl-[5-(phenylmethoxyphosphanyloxymethyl)oxolan-2-yl]amino]prop-2-enamide (PubChem CID 144948845) has the molecular formula C17H23N2O5P and a molecular weight of 366.35 g/mol. Its IUPAC name is (Z)-N-formyl-3-[methyl-[5-(phenylmethoxyphosphanyloxymethyl)oxolan-2-yl]amino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-formyl-3-[methyl-[5-(phenylmethoxyphosphanyloxymethyl)oxolan-2-yl]amino]prop-2-enamide
PubChem CID144948845
Molecular FormulaC17H23N2O5P
Molecular Weight366.35 g/mol
Exact Mass366.13
IUPAC Name(Z)-N-formyl-3-[methyl-[5-(phenylmethoxyphosphanyloxymethyl)oxolan-2-yl]amino]prop-2-enamide
SMILESCN(/C=C\C(=O)NC=O)C1CCC(COPOCc2ccccc2)O1
InChIInChI=1S/C17H23N2O5P/c1-19(10-9-16(21)18-13-20)17-8-7-15(24-17)12-23-25-22-11-14-5-3-2-4-6-14/h2-6,9-10,13,15,17,25H,7-8,11-12H2,1H3,(H,18,20,21)/b10-9-
InChIKeyKIJFMDMHRAKWAK-KTKRTIGZSA-N
XLogP1.95
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-formyl-3-[methyl-[5-(phenylmethoxyphosphanyloxymethyl)oxolan-2-yl]amino]prop-2-enamide?
The IUPAC name of (Z)-N-formyl-3-[methyl-[5-(phenylmethoxyphosphanyloxymethyl)oxolan-2-yl]amino]prop-2-enamide (CID 144948845) is (Z)-N-formyl-3-[methyl-[5-(phenylmethoxyphosphanyloxymethyl)oxolan-2-yl]amino]prop-2-enamide.
What is the SMILES notation for (Z)-N-formyl-3-[methyl-[5-(phenylmethoxyphosphanyloxymethyl)oxolan-2-yl]amino]prop-2-enamide?
The canonical SMILES for (Z)-N-formyl-3-[methyl-[5-(phenylmethoxyphosphanyloxymethyl)oxolan-2-yl]amino]prop-2-enamide is CN(/C=C\C(=O)NC=O)C1CCC(COPOCc2ccccc2)O1.
What is the InChIKey of (Z)-N-formyl-3-[methyl-[5-(phenylmethoxyphosphanyloxymethyl)oxolan-2-yl]amino]prop-2-enamide?
The InChIKey is KIJFMDMHRAKWAK-KTKRTIGZSA-N. The full InChI is InChI=1S/C17H23N2O5P/c1-19(10-9-16(21)18-13-20)17-8-7-15(24-17)12-23-25-22-11-14-5-3-2-4-6-14/h2-6,9-10,13,15,17,25H,7-8,11-12H2,1H3,(H,18,20,21)/b10-9-.
What are the key properties of (Z)-N-formyl-3-[methyl-[5-(phenylmethoxyphosphanyloxymethyl)oxolan-2-yl]amino]prop-2-enamide?
(Z)-N-formyl-3-[methyl-[5-(phenylmethoxyphosphanyloxymethyl)oxolan-2-yl]amino]prop-2-enamide has a molecular weight of 366.35 g/mol, XLogP of 1.95, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-formyl-3-[methyl-[5-(phenylmethoxyphosphanyloxymethyl)oxolan-2-yl]amino]prop-2-enamide is sourced from PubChem (CID 144948845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).