benzyl N-[2-ethenyl-1-[[ethoxy(methyl)phosphoryl]carbonylamino]cyclopropyl]carbamate

C17H23N2O5P — CID 87142650

IUPACbenzyl N-[2-ethenyl-1-[[ethoxy(methyl)phosphoryl]carbonylamino]cyclopropyl]carbamate
SMILESC=CC1CC1(NC(=O)OCc1ccccc1)NC(=O)P(C)(=O)OCC
InChIInChI=1S/C17H23N2O5P/c1-4-14-11-17(14,19-16(21)25(3,22)24-5-2)18-15(20)23-12-13-9-7-6-8-10-13/h4,6-10,14H,1,5,11-12H2,2-3H3,(H,18,20)(H,19,21)
InChIKeyYQMNLSSUBRVUSF-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.47
Rot. Bonds8

About benzyl N-[2-ethenyl-1-[[ethoxy(methyl)phosphoryl]carbonylamino]cyclopropyl]carbamate

benzyl N-[2-ethenyl-1-[[ethoxy(methyl)phosphoryl]carbonylamino]cyclopropyl]carbamate (PubChem CID 87142650) has the molecular formula C17H23N2O5P and a molecular weight of 366.35 g/mol. Its IUPAC name is benzyl N-[2-ethenyl-1-[[ethoxy(methyl)phosphoryl]carbonylamino]cyclopropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-ethenyl-1-[[ethoxy(methyl)phosphoryl]carbonylamino]cyclopropyl]carbamate
PubChem CID87142650
Molecular FormulaC17H23N2O5P
Molecular Weight366.35 g/mol
Exact Mass366.13
IUPAC Namebenzyl N-[2-ethenyl-1-[[ethoxy(methyl)phosphoryl]carbonylamino]cyclopropyl]carbamate
SMILESC=CC1CC1(NC(=O)OCc1ccccc1)NC(=O)P(C)(=O)OCC
InChIInChI=1S/C17H23N2O5P/c1-4-14-11-17(14,19-16(21)25(3,22)24-5-2)18-15(20)23-12-13-9-7-6-8-10-13/h4,6-10,14H,1,5,11-12H2,2-3H3,(H,18,20)(H,19,21)
InChIKeyYQMNLSSUBRVUSF-UHFFFAOYSA-N
XLogP3.47
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

butan-2-yl-[2-ethenyl-1-(phenylmethoxycarbonylamino)cyclopropyl]phosphinic acid
CID 141136857
benzyl N-[(1S,2S)-1-[butyl(ethoxy)phosphoryl]-2-ethenylcyclopropyl]carbamate;[(1S,2S)-2-ethenyl-1-(phenylmethoxycarbonylamino)cyclopropyl]-ethoxyphosphinic acid
CID 158212071
benzyl N-[1-[(2-chloro-6-fluorophenyl)methyl-ethoxyphosphoryl]-2-ethenylcyclopropyl]carbamate
CID 66770344
2-[2-ethenyl-1-(phenylmethoxycarbonylamino)cyclopropyl]ethyl-ethoxy-oxophosphanium
CID 67206620
[4-[2-ethenyl-1-(phenylmethoxycarbonylamino)cyclopropyl]phenyl]-ethoxy-oxophosphanium
CID 66770266
2,3-dimethyl-1-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 131162341
benzyl N-[1-[ethoxy(methyl)phosphoryl]-3-methylbutyl]carbamate
CID 10426575
[(2R)-2-[(1R,2S)-2-(phenylmethoxycarbonylamino)-2-prop-2-enylcyclopentyl]propyl] acetate
CID 177462736
benzyl N-[(1S)-2-hydroxy-1-methylcyclopentyl]carbamate
CID 57287930
benzyl N-[3-methyl-1-[methyl(prop-2-enoxy)phosphoryl]butyl]carbamate
CID 10020078
benzyl 1-[ethoxy(methyl)phosphoryl]cyclopropane-1-carboxylate
CID 796965
benzyl N-pent-4-en-2-ylcarbamate
CID 50916610

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-ethenyl-1-[[ethoxy(methyl)phosphoryl]carbonylamino]cyclopropyl]carbamate?
The IUPAC name of benzyl N-[2-ethenyl-1-[[ethoxy(methyl)phosphoryl]carbonylamino]cyclopropyl]carbamate (CID 87142650) is benzyl N-[2-ethenyl-1-[[ethoxy(methyl)phosphoryl]carbonylamino]cyclopropyl]carbamate.
What is the SMILES notation for benzyl N-[2-ethenyl-1-[[ethoxy(methyl)phosphoryl]carbonylamino]cyclopropyl]carbamate?
The canonical SMILES for benzyl N-[2-ethenyl-1-[[ethoxy(methyl)phosphoryl]carbonylamino]cyclopropyl]carbamate is C=CC1CC1(NC(=O)OCc1ccccc1)NC(=O)P(C)(=O)OCC.
What is the InChIKey of benzyl N-[2-ethenyl-1-[[ethoxy(methyl)phosphoryl]carbonylamino]cyclopropyl]carbamate?
The InChIKey is YQMNLSSUBRVUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N2O5P/c1-4-14-11-17(14,19-16(21)25(3,22)24-5-2)18-15(20)23-12-13-9-7-6-8-10-13/h4,6-10,14H,1,5,11-12H2,2-3H3,(H,18,20)(H,19,21).
What are the key properties of benzyl N-[2-ethenyl-1-[[ethoxy(methyl)phosphoryl]carbonylamino]cyclopropyl]carbamate?
benzyl N-[2-ethenyl-1-[[ethoxy(methyl)phosphoryl]carbonylamino]cyclopropyl]carbamate has a molecular weight of 366.35 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-ethenyl-1-[[ethoxy(methyl)phosphoryl]carbonylamino]cyclopropyl]carbamate is sourced from PubChem (CID 87142650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).