(4-methoxyphenyl)methyl N-(1-diethoxyphosphorylethyl)carbamate

C15H24NO6P — CID 131858581

IUPAC(4-methoxyphenyl)methyl N-(1-diethoxyphosphorylethyl)carbamate
SMILESCCOP(=O)(OCC)C(C)NC(=O)OCc1ccc(OC)cc1
InChIInChI=1S/C15H24NO6P/c1-5-21-23(18,22-6-2)12(3)16-15(17)20-11-13-7-9-14(19-4)10-8-13/h7-10,12H,5-6,11H2,1-4H3,(H,16,17)
InChIKeyFANRZKSMWKUYEY-UHFFFAOYSA-N
MW345.33 g/mol
LogP3.53
Rot. Bonds9

About (4-methoxyphenyl)methyl N-(1-diethoxyphosphorylethyl)carbamate

(4-methoxyphenyl)methyl N-(1-diethoxyphosphorylethyl)carbamate (PubChem CID 131858581) has the molecular formula C15H24NO6P and a molecular weight of 345.33 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl N-(1-diethoxyphosphorylethyl)carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl N-(1-diethoxyphosphorylethyl)carbamate
PubChem CID131858581
Molecular FormulaC15H24NO6P
Molecular Weight345.33 g/mol
Exact Mass345.13
IUPAC Name(4-methoxyphenyl)methyl N-(1-diethoxyphosphorylethyl)carbamate
SMILESCCOP(=O)(OCC)C(C)NC(=O)OCc1ccc(OC)cc1
InChIInChI=1S/C15H24NO6P/c1-5-21-23(18,22-6-2)12(3)16-15(17)20-11-13-7-9-14(19-4)10-8-13/h7-10,12H,5-6,11H2,1-4H3,(H,16,17)
InChIKeyFANRZKSMWKUYEY-UHFFFAOYSA-N
XLogP3.53
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-diethoxyphosphorylpropyl)-4-methoxybenzene
CID 102580264
benzyl N-[diethoxyphosphoryl-(3-methoxyphenyl)methyl]carbamate
CID 23420217
benzyl N-[diethoxyphosphoryl-(2-methoxyphenyl)methyl]carbamate
CID 23420220
(2R)-3-hydroxy-2-[(4-methoxyphenyl)methoxycarbonylamino]propanoic acid
CID 18611397
ethyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
CID 11132476
ethyl (2S)-3-(4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 10522314
(4-methoxyphenyl)methyl N-[(2S)-1-[[(2S)-1-amino-5-methoxy-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 10251718
benzyl N-[(1S)-1-bis(4-tert-butylphenoxy)phosphorylethyl]carbamate
CID 53323959
2-[[2-[[2-(1-diethoxyphosphorylethylamino)-4-methylpentanoyl]amino]-3-(4-methoxyphenyl)propanoyl]amino]propanoic acid
CID 19762272
[1-dimethoxyphosphoryl-2-[(4-methoxyphenyl)methoxy]-2-oxoethyl]carbamothioic S-acid
CID 88836181
benzyl N-[1-[ethoxy(methyl)phosphoryl]-3-methylbutyl]carbamate
CID 10426575
methoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 12074004

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl N-(1-diethoxyphosphorylethyl)carbamate?
The IUPAC name of (4-methoxyphenyl)methyl N-(1-diethoxyphosphorylethyl)carbamate (CID 131858581) is (4-methoxyphenyl)methyl N-(1-diethoxyphosphorylethyl)carbamate.
What is the SMILES notation for (4-methoxyphenyl)methyl N-(1-diethoxyphosphorylethyl)carbamate?
The canonical SMILES for (4-methoxyphenyl)methyl N-(1-diethoxyphosphorylethyl)carbamate is CCOP(=O)(OCC)C(C)NC(=O)OCc1ccc(OC)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl N-(1-diethoxyphosphorylethyl)carbamate?
The InChIKey is FANRZKSMWKUYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24NO6P/c1-5-21-23(18,22-6-2)12(3)16-15(17)20-11-13-7-9-14(19-4)10-8-13/h7-10,12H,5-6,11H2,1-4H3,(H,16,17).
What are the key properties of (4-methoxyphenyl)methyl N-(1-diethoxyphosphorylethyl)carbamate?
(4-methoxyphenyl)methyl N-(1-diethoxyphosphorylethyl)carbamate has a molecular weight of 345.33 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl N-(1-diethoxyphosphorylethyl)carbamate is sourced from PubChem (CID 131858581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).