N-(diethoxyphosphorylmethyl)-N-prop-2-enylbenzamide

C15H22NO4P — CID 2173614

IUPACN-(diethoxyphosphorylmethyl)-N-prop-2-enylbenzamide
SMILESC=CCN(CP(=O)(OCC)OCC)C(=O)c1ccccc1
InChIInChI=1S/C15H22NO4P/c1-4-12-16(13-21(18,19-5-2)20-6-3)15(17)14-10-8-7-9-11-14/h4,7-11H,1,5-6,12-13H2,2-3H3
InChIKeyUSASZMNSZYNKEM-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.54
Rot. Bonds9

About N-(diethoxyphosphorylmethyl)-N-prop-2-enylbenzamide

N-(diethoxyphosphorylmethyl)-N-prop-2-enylbenzamide (PubChem CID 2173614) has the molecular formula C15H22NO4P and a molecular weight of 311.32 g/mol. Its IUPAC name is N-(diethoxyphosphorylmethyl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-(diethoxyphosphorylmethyl)-N-prop-2-enylbenzamide
PubChem CID2173614
Molecular FormulaC15H22NO4P
Molecular Weight311.32 g/mol
Exact Mass311.13
IUPAC NameN-(diethoxyphosphorylmethyl)-N-prop-2-enylbenzamide
SMILESC=CCN(CP(=O)(OCC)OCC)C(=O)c1ccccc1
InChIInChI=1S/C15H22NO4P/c1-4-12-16(13-21(18,19-5-2)20-6-3)15(17)14-10-8-7-9-11-14/h4,7-11H,1,5-6,12-13H2,2-3H3
InChIKeyUSASZMNSZYNKEM-UHFFFAOYSA-N
XLogP3.54
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-N-(diethoxyphosphorylmethyl)benzamide
CID 13292702
N-(diethoxyphosphorylmethyl)-N-prop-2-enylacetamide
CID 2252018
2-[benzoyl(prop-2-enyl)amino]acetic acid
CID 67991979
[benzoyl-[2-[hydroxy(prop-2-enyl)amino]-2-oxoethyl]amino]methyl-methylphosphinic acid;ethane
CID 142100193
(E)-4-diethoxyphosphoryl-3-phenylbut-2-enoic acid
CID 87453545
ethyl 4-[2-[benzoyl(prop-2-enyl)amino]acetyl]-1-ethyl-3,5-dimethylpyrrole-2-carboxylate
CID 42674310
CID 174412487
CID 174412487
N-benzyl-6-ethoxy-N-prop-2-enylpyridine-3-carboxamide
CID 87002397
N,N-dibenzyl-2-diethoxyphosphorylacetamide
CID 11100843
4-acetyl-N,N-bis(prop-2-enyl)benzamide
CID 67089080
N-ethyl-4-methoxy-N-prop-2-enylbenzamide
CID 84558976
3-benzyl-1-(diethoxyphosphorylmethyl)-1-methylurea
CID 10781532

Frequently Asked Questions

What is the IUPAC name of N-(diethoxyphosphorylmethyl)-N-prop-2-enylbenzamide?
The IUPAC name of N-(diethoxyphosphorylmethyl)-N-prop-2-enylbenzamide (CID 2173614) is N-(diethoxyphosphorylmethyl)-N-prop-2-enylbenzamide.
What is the SMILES notation for N-(diethoxyphosphorylmethyl)-N-prop-2-enylbenzamide?
The canonical SMILES for N-(diethoxyphosphorylmethyl)-N-prop-2-enylbenzamide is C=CCN(CP(=O)(OCC)OCC)C(=O)c1ccccc1.
What is the InChIKey of N-(diethoxyphosphorylmethyl)-N-prop-2-enylbenzamide?
The InChIKey is USASZMNSZYNKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NO4P/c1-4-12-16(13-21(18,19-5-2)20-6-3)15(17)14-10-8-7-9-11-14/h4,7-11H,1,5-6,12-13H2,2-3H3.
What are the key properties of N-(diethoxyphosphorylmethyl)-N-prop-2-enylbenzamide?
N-(diethoxyphosphorylmethyl)-N-prop-2-enylbenzamide has a molecular weight of 311.32 g/mol, XLogP of 3.54, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethoxyphosphorylmethyl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 2173614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).