4-[bis(dimethylamino)phosphoryloxy]-N,N-diethylbenzamide

C15H26N3O3P — CID 14791031

IUPAC4-[bis(dimethylamino)phosphoryloxy]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(OP(=O)(N(C)C)N(C)C)cc1
InChIInChI=1S/C15H26N3O3P/c1-7-18(8-2)15(19)13-9-11-14(12-10-13)21-22(20,16(3)4)17(5)6/h9-12H,7-8H2,1-6H3
InChIKeySBDGNJGVIDLWLT-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.78
Rot. Bonds7

About 4-[bis(dimethylamino)phosphoryloxy]-N,N-diethylbenzamide

4-[bis(dimethylamino)phosphoryloxy]-N,N-diethylbenzamide (PubChem CID 14791031) has the molecular formula C15H26N3O3P and a molecular weight of 327.37 g/mol. Its IUPAC name is 4-[bis(dimethylamino)phosphoryloxy]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[bis(dimethylamino)phosphoryloxy]-N,N-diethylbenzamide
PubChem CID14791031
Molecular FormulaC15H26N3O3P
Molecular Weight327.37 g/mol
Exact Mass327.17
IUPAC Name4-[bis(dimethylamino)phosphoryloxy]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(OP(=O)(N(C)C)N(C)C)cc1
InChIInChI=1S/C15H26N3O3P/c1-7-18(8-2)15(19)13-9-11-14(12-10-13)21-22(20,16(3)4)17(5)6/h9-12H,7-8H2,1-6H3
InChIKeySBDGNJGVIDLWLT-UHFFFAOYSA-N
XLogP2.78
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-(2-methoxyethoxy)benzamide
CID 17353475
[4-(diethylcarbamoyl)phenyl] acetate
CID 683590
N,N-diethyl-4-(2-methylpropoxy)benzamide
CID 60635917
N-(2-chloroethyl)-N-ethyl-4-methoxybenzamide
CID 63395129
[4-(diethylcarbamoyl)phenyl] benzoate
CID 139836095
1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048413
4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethylbenzamide
CID 58586309
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
N-(2-chloroethyl)-4-ethoxy-N-ethylbenzamide
CID 63395634
4-(diethylamino)-N,N-diethylbenzamide
CID 17310828
4-N,4-N-diethyl-1-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109048416
N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676

Frequently Asked Questions

What is the IUPAC name of 4-[bis(dimethylamino)phosphoryloxy]-N,N-diethylbenzamide?
The IUPAC name of 4-[bis(dimethylamino)phosphoryloxy]-N,N-diethylbenzamide (CID 14791031) is 4-[bis(dimethylamino)phosphoryloxy]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[bis(dimethylamino)phosphoryloxy]-N,N-diethylbenzamide?
The canonical SMILES for 4-[bis(dimethylamino)phosphoryloxy]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(OP(=O)(N(C)C)N(C)C)cc1.
What is the InChIKey of 4-[bis(dimethylamino)phosphoryloxy]-N,N-diethylbenzamide?
The InChIKey is SBDGNJGVIDLWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N3O3P/c1-7-18(8-2)15(19)13-9-11-14(12-10-13)21-22(20,16(3)4)17(5)6/h9-12H,7-8H2,1-6H3.
What are the key properties of 4-[bis(dimethylamino)phosphoryloxy]-N,N-diethylbenzamide?
4-[bis(dimethylamino)phosphoryloxy]-N,N-diethylbenzamide has a molecular weight of 327.37 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(dimethylamino)phosphoryloxy]-N,N-diethylbenzamide is sourced from PubChem (CID 14791031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).