tert-butyl N-(1-diphenoxyphosphoryloxyethenyl)-N-(4-methoxyphenyl)carbamate

C26H28NO7P — CID 102422207

IUPACtert-butyl N-(1-diphenoxyphosphoryloxyethenyl)-N-(4-methoxyphenyl)carbamate
SMILESC=C(OP(=O)(Oc1ccccc1)Oc1ccccc1)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C26H28NO7P/c1-20(27(25(28)31-26(2,3)4)21-16-18-22(30-5)19-17-21)32-35(29,33-23-12-8-6-9-13-23)34-24-14-10-7-11-15-24/h6-19H,1H2,2-5H3
InChIKeyHBPBTCZQUZNFFB-UHFFFAOYSA-N
MW497.48 g/mol
LogP7.19
Rot. Bonds9

About tert-butyl N-(1-diphenoxyphosphoryloxyethenyl)-N-(4-methoxyphenyl)carbamate

tert-butyl N-(1-diphenoxyphosphoryloxyethenyl)-N-(4-methoxyphenyl)carbamate (PubChem CID 102422207) has the molecular formula C26H28NO7P and a molecular weight of 497.48 g/mol. Its IUPAC name is tert-butyl N-(1-diphenoxyphosphoryloxyethenyl)-N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-diphenoxyphosphoryloxyethenyl)-N-(4-methoxyphenyl)carbamate
PubChem CID102422207
Molecular FormulaC26H28NO7P
Molecular Weight497.48 g/mol
Exact Mass497.16
IUPAC Nametert-butyl N-(1-diphenoxyphosphoryloxyethenyl)-N-(4-methoxyphenyl)carbamate
SMILESC=C(OP(=O)(Oc1ccccc1)Oc1ccccc1)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C26H28NO7P/c1-20(27(25(28)31-26(2,3)4)21-16-18-22(30-5)19-17-21)32-35(29,33-23-12-8-6-9-13-23)34-24-14-10-7-11-15-24/h6-19H,1H2,2-5H3
InChIKeyHBPBTCZQUZNFFB-UHFFFAOYSA-N
XLogP7.19
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.48
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(4-methoxyphenyl)-N-(1-phenylethenyl)carbamate
CID 102422210
tert-butyl N-(1-diphenoxyphosphoryloxyethenyl)-N-[(4S)-7-[(4-methoxyphenyl)methoxy]hept-1-en-4-yl]carbamate
CID 102325406
methyl (2R)-2-[4-methoxy-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-2-phenylacetate
CID 10737969
tert-butyl N-(N-benzyl-4-methoxyanilino)carbamate
CID 122213269
tert-butyl N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)carbamate
CID 101207384
tert-butyl N-(2,2-dibromoethenyl)-N-(4-methoxyphenyl)carbamate
CID 164687395
tert-butyl N-(4-methoxyphenyl)-N-[(R)-[(1R)-3-oxocyclopentyl]-phenylmethyl]carbamate
CID 102091617
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
tert-butyl N-(4-methoxyphenyl)-N-[(E)-2-methylbut-2-enyl]carbamate
CID 11680858
tert-butyl N-[4-(dimethylamino)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 134129739
tert-butyl N-[(1R)-2-hydroxy-4-methyl-1-phenylpent-3-enyl]-N-(4-methoxyphenyl)carbamate
CID 135021424
tert-butyl N-(4-methoxyphenyl)-N-[(E,3R)-3-methyl-4-phenylbut-1-enyl]carbamate
CID 11111359

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-diphenoxyphosphoryloxyethenyl)-N-(4-methoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(1-diphenoxyphosphoryloxyethenyl)-N-(4-methoxyphenyl)carbamate (CID 102422207) is tert-butyl N-(1-diphenoxyphosphoryloxyethenyl)-N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-diphenoxyphosphoryloxyethenyl)-N-(4-methoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(1-diphenoxyphosphoryloxyethenyl)-N-(4-methoxyphenyl)carbamate is C=C(OP(=O)(Oc1ccccc1)Oc1ccccc1)N(C(=O)OC(C)(C)C)c1ccc(OC)cc1.
What is the InChIKey of tert-butyl N-(1-diphenoxyphosphoryloxyethenyl)-N-(4-methoxyphenyl)carbamate?
The InChIKey is HBPBTCZQUZNFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28NO7P/c1-20(27(25(28)31-26(2,3)4)21-16-18-22(30-5)19-17-21)32-35(29,33-23-12-8-6-9-13-23)34-24-14-10-7-11-15-24/h6-19H,1H2,2-5H3.
What are the key properties of tert-butyl N-(1-diphenoxyphosphoryloxyethenyl)-N-(4-methoxyphenyl)carbamate?
tert-butyl N-(1-diphenoxyphosphoryloxyethenyl)-N-(4-methoxyphenyl)carbamate has a molecular weight of 497.48 g/mol, XLogP of 7.19, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-diphenoxyphosphoryloxyethenyl)-N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 102422207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).