(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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Related Compounds

1-(2-(Benzyloxy)-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 337507
1-[(2S,4aR,6R,7R,7aR)-7-fluoro-7-methyl-2-oxo-2-phenylmethoxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidine-2,4-dione
CID 45102210
1-[(2R,4aR,6R,7R,7aR)-7-fluoro-7-methyl-2-oxo-2-phenylmethoxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidine-2,4-dione
CID 45102211
1-[(4aR,6R,7R,7aR)-7-fluoro-7-methyl-2-oxo-2-phenylmethoxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidine-2,4-dione
CID 59267251
[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)-4-methyloxolan-3-yl]oxy-oxo-phenylmethoxyphosphanium
CID 70946990
(Z)-3-[[5-[[ethylamino-(4-fluorophenoxy)phosphanyl]oxymethyl]-3-methyloxolan-2-yl]-methylamino]-N-formylprop-2-enamide
CID 130280881
[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2-fluorophenyl)methyl hydrogen phosphite
CID 139341135
[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2,3,4-trifluorophenyl)methyl hydrogen phosphite
CID 139341147
(Z)-3-[formyl-[5-(hydroxymethyl)oxolan-2-yl]amino]-N-methylprop-2-enamide;(4S)-4-[4-(trifluoromethyl)phenyl]-1,3,2-dioxaphosphinane
CID 143811294
[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-oxo-phenylmethoxyphosphanium
CID 145757763
1-[(4aR,6R,7aS)-2-phenylmethoxy-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-fluoropyrimidine-2,4-dione
CID 155279696
1-[(5R)-5-(2-aminoethyl)-3-fluoro-5-(iodophosphanyloxymethyl)-4-phenylmethoxyoxolan-2-yl]pyrimidine-2,4-dione
CID 166867573

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).