1-[tributyl(iodo)-λ5-phosphanyl]ethyl N-(2-methylprop-2-enoyl)carbamate

C19H37INO3P — CID 139790996

IUPAC1-[tributyl(iodo)-λ5-phosphanyl]ethyl N-(2-methylprop-2-enoyl)carbamate
SMILESC=C(C)C(=O)NC(=O)OC(C)P(I)(CCCC)(CCCC)CCCC
InChIInChI=1S/C19H37INO3P/c1-7-10-13-25(20,14-11-8-2,15-12-9-3)17(6)24-19(23)21-18(22)16(4)5/h17H,4,7-15H2,1-3,5-6H3,(H,21,22,23)
InChIKeyXIVRGXZXYCPSGP-UHFFFAOYSA-N
MW485.39 g/mol
LogP6.46
Rot. Bonds12

About 1-[tributyl(iodo)-λ5-phosphanyl]ethyl N-(2-methylprop-2-enoyl)carbamate

1-[tributyl(iodo)-λ5-phosphanyl]ethyl N-(2-methylprop-2-enoyl)carbamate (PubChem CID 139790996) has the molecular formula C19H37INO3P and a molecular weight of 485.39 g/mol. Its IUPAC name is 1-[tributyl(iodo)-λ5-phosphanyl]ethyl N-(2-methylprop-2-enoyl)carbamate.

Molecular Properties

Compound Name1-[tributyl(iodo)-λ5-phosphanyl]ethyl N-(2-methylprop-2-enoyl)carbamate
PubChem CID139790996
Molecular FormulaC19H37INO3P
Molecular Weight485.39 g/mol
Exact Mass485.16
IUPAC Name1-[tributyl(iodo)-λ5-phosphanyl]ethyl N-(2-methylprop-2-enoyl)carbamate
SMILESC=C(C)C(=O)NC(=O)OC(C)P(I)(CCCC)(CCCC)CCCC
InChIInChI=1S/C19H37INO3P/c1-7-10-13-25(20,14-11-8-2,15-12-9-3)17(6)24-19(23)21-18(22)16(4)5/h17H,4,7-15H2,1-3,5-6H3,(H,21,22,23)
InChIKeyXIVRGXZXYCPSGP-UHFFFAOYSA-N
XLogP6.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.39
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

octan-2-yl N-(2-methylprop-2-enoyl)carbamate
CID 11075602
1-methoxyethyl N-(2-methylprop-2-enoyl)carbamate
CID 18965589
N-(2-methylprop-2-enoyl)heptadecanamide
CID 91422335
3-[tributyl(iodo)-λ5-phosphanyl]propyl 2-methylprop-2-enoate
CID 139809161
2-methyl-N-octan-2-ylprop-2-enamide
CID 54184108
2-methyl-N-tetradecan-2-ylprop-2-enamide
CID 91551786
N-(dibutoxymethyl)-2-methylprop-2-enamide
CID 91873110
ethyl 2-(2-methylprop-2-enoylamino)propanoate
CID 86135895
4-butoxy-N-(2-methylprop-2-enoyl)but-2-enamide
CID 139892329
2-methyl-N-[N-(2-methylprop-2-enoyl)carbamimidoyl]prop-2-enamide
CID 154307260
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoylcarbamoyloxymethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl N-(2-methylprop-2-enoyl)carbamate
CID 118477482
N-icosyl-2-methylprop-2-enamide
CID 22336363

Frequently Asked Questions

What is the IUPAC name of 1-[tributyl(iodo)-λ5-phosphanyl]ethyl N-(2-methylprop-2-enoyl)carbamate?
The IUPAC name of 1-[tributyl(iodo)-λ5-phosphanyl]ethyl N-(2-methylprop-2-enoyl)carbamate (CID 139790996) is 1-[tributyl(iodo)-λ5-phosphanyl]ethyl N-(2-methylprop-2-enoyl)carbamate.
What is the SMILES notation for 1-[tributyl(iodo)-λ5-phosphanyl]ethyl N-(2-methylprop-2-enoyl)carbamate?
The canonical SMILES for 1-[tributyl(iodo)-λ5-phosphanyl]ethyl N-(2-methylprop-2-enoyl)carbamate is C=C(C)C(=O)NC(=O)OC(C)P(I)(CCCC)(CCCC)CCCC.
What is the InChIKey of 1-[tributyl(iodo)-λ5-phosphanyl]ethyl N-(2-methylprop-2-enoyl)carbamate?
The InChIKey is XIVRGXZXYCPSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37INO3P/c1-7-10-13-25(20,14-11-8-2,15-12-9-3)17(6)24-19(23)21-18(22)16(4)5/h17H,4,7-15H2,1-3,5-6H3,(H,21,22,23).
What are the key properties of 1-[tributyl(iodo)-λ5-phosphanyl]ethyl N-(2-methylprop-2-enoyl)carbamate?
1-[tributyl(iodo)-λ5-phosphanyl]ethyl N-(2-methylprop-2-enoyl)carbamate has a molecular weight of 485.39 g/mol, XLogP of 6.46, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tributyl(iodo)-λ5-phosphanyl]ethyl N-(2-methylprop-2-enoyl)carbamate is sourced from PubChem (CID 139790996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).