[4-(diethoxyphosphorylmethyl)phenyl] N-ethylcarbamate

C14H22NO5P — CID 130408458

IUPAC[4-(diethoxyphosphorylmethyl)phenyl] N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc(CP(=O)(OCC)OCC)cc1
InChIInChI=1S/C14H22NO5P/c1-4-15-14(16)20-13-9-7-12(8-10-13)11-21(17,18-5-2)19-6-3/h7-10H,4-6,11H2,1-3H3,(H,15,16)
InChIKeyLUUANJUUIAIGKM-UHFFFAOYSA-N
MW315.31 g/mol
LogP3.56
Rot. Bonds8

About [4-(diethoxyphosphorylmethyl)phenyl] N-ethylcarbamate

[4-(diethoxyphosphorylmethyl)phenyl] N-ethylcarbamate (PubChem CID 130408458) has the molecular formula C14H22NO5P and a molecular weight of 315.31 g/mol. Its IUPAC name is [4-(diethoxyphosphorylmethyl)phenyl] N-ethylcarbamate.

Molecular Properties

Compound Name[4-(diethoxyphosphorylmethyl)phenyl] N-ethylcarbamate
PubChem CID130408458
Molecular FormulaC14H22NO5P
Molecular Weight315.31 g/mol
Exact Mass315.12
IUPAC Name[4-(diethoxyphosphorylmethyl)phenyl] N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc(CP(=O)(OCC)OCC)cc1
InChIInChI=1S/C14H22NO5P/c1-4-15-14(16)20-13-9-7-12(8-10-13)11-21(17,18-5-2)19-6-3/h7-10H,4-6,11H2,1-3H3,(H,15,16)
InChIKeyLUUANJUUIAIGKM-UHFFFAOYSA-N
XLogP3.56
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(diethoxyphosphorylmethyl)-4-methoxybenzene
CID 4063826
[4-(2-aminoethyl)phenyl] N-ethylcarbamate
CID 79337248
(2R)-2-[[4-(diethoxyphosphorylmethyl)phenyl]methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 15384254
1-(diethoxyphosphorylmethyl)-4-[[4-(2-methoxyethoxy)phenyl]methyl]benzene
CID 87704919
1-[4-(diethoxyphosphorylmethyl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 3503064
1-(diethoxyphosphorylmethyl)-4-[tris[4-(diethoxyphosphorylmethyl)phenyl]methyl]benzene
CID 10920093
2-amino-N-[4-(diethoxyphosphorylmethyl)phenyl]acetamide;hydrochloride
CID 87467855
[4-[3-(4-methoxyphenyl)-1-(methylamino)propyl]phenyl] N-ethylcarbamate
CID 25049961
N-[4-(diethoxyphosphorylmethyl)phenyl]naphthalene-2-carboxamide
CID 19700500
[4-[tert-butyl(dimethyl)silyl]oxyphenyl] N-ethylcarbamate
CID 69186234
1,4-bis(dibutoxyphosphorylmethyl)benzene
CID 101243552
[4-(ethylcarbamoyl)phenyl] N-fluorocarbamate
CID 59335547

Frequently Asked Questions

What is the IUPAC name of [4-(diethoxyphosphorylmethyl)phenyl] N-ethylcarbamate?
The IUPAC name of [4-(diethoxyphosphorylmethyl)phenyl] N-ethylcarbamate (CID 130408458) is [4-(diethoxyphosphorylmethyl)phenyl] N-ethylcarbamate.
What is the SMILES notation for [4-(diethoxyphosphorylmethyl)phenyl] N-ethylcarbamate?
The canonical SMILES for [4-(diethoxyphosphorylmethyl)phenyl] N-ethylcarbamate is CCNC(=O)Oc1ccc(CP(=O)(OCC)OCC)cc1.
What is the InChIKey of [4-(diethoxyphosphorylmethyl)phenyl] N-ethylcarbamate?
The InChIKey is LUUANJUUIAIGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NO5P/c1-4-15-14(16)20-13-9-7-12(8-10-13)11-21(17,18-5-2)19-6-3/h7-10H,4-6,11H2,1-3H3,(H,15,16).
What are the key properties of [4-(diethoxyphosphorylmethyl)phenyl] N-ethylcarbamate?
[4-(diethoxyphosphorylmethyl)phenyl] N-ethylcarbamate has a molecular weight of 315.31 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethoxyphosphorylmethyl)phenyl] N-ethylcarbamate is sourced from PubChem (CID 130408458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).