1-diphenylphosphoryl-N,N-diethylcyclopropane-1-carboxamide

C20H24NO2P — CID 698851

IUPAC1-diphenylphosphoryl-N,N-diethylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)C1(P(=O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H24NO2P/c1-3-21(4-2)19(22)20(15-16-20)24(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
InChIKeyVMHDOZRHLNVYEJ-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.40
Rot. Bonds6

About 1-diphenylphosphoryl-N,N-diethylcyclopropane-1-carboxamide

1-diphenylphosphoryl-N,N-diethylcyclopropane-1-carboxamide (PubChem CID 698851) has the molecular formula C20H24NO2P and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-diphenylphosphoryl-N,N-diethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-diphenylphosphoryl-N,N-diethylcyclopropane-1-carboxamide
PubChem CID698851
Molecular FormulaC20H24NO2P
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name1-diphenylphosphoryl-N,N-diethylcyclopropane-1-carboxamide
SMILESCCN(CC)C(=O)C1(P(=O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H24NO2P/c1-3-21(4-2)19(22)20(15-16-20)24(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
InChIKeyVMHDOZRHLNVYEJ-UHFFFAOYSA-N
XLogP3.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octyl(phenyl)-N,N-diisobutylcarbamoylmethylphosphine oxide
CID 158335
3-(diethylamino)-2-(diphenylphosphoryl)-N,N-diethylpropanamide
CID 2879771
1-(diphenylphosphoryl)-N,N-diethylcyclobutanecarboxamide
CID 1046768
Acetamide, 2-(diphenylphosphinyl)-N,N-diethyl-
CID 796632
2-(diphenylphosphoryl)-N,N-dipropylacetamide
CID 2193730
N,N-dibutyl-1-(diphenylphosphoryl)cyclobutanecarboxamide
CID 1909338
N,N-diethyl-2-[phenyl(propyl)phosphoryl]acetamide
CID 2241619
2-(Diphenyl-phosphinoyl)-1-piperidin-1-yl-ethanone
CID 611958
Acetamide, 2-(diphenylphosphinothioyl)-N,N-diethyl-
CID 796778
Acetamide, N,N-dibutyl-2-(diphenylphosphinyl)-
CID 4126391
diphenyl-N,N-dibutyl-carbamoylphosphineoxide
CID 15461320
N-ethyl-5-(difenylfosfinyl)pentanamid
CID 169437460

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryl-N,N-diethylcyclopropane-1-carboxamide?
The IUPAC name of 1-diphenylphosphoryl-N,N-diethylcyclopropane-1-carboxamide (CID 698851) is 1-diphenylphosphoryl-N,N-diethylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-diphenylphosphoryl-N,N-diethylcyclopropane-1-carboxamide?
The canonical SMILES for 1-diphenylphosphoryl-N,N-diethylcyclopropane-1-carboxamide is CCN(CC)C(=O)C1(P(=O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-diphenylphosphoryl-N,N-diethylcyclopropane-1-carboxamide?
The InChIKey is VMHDOZRHLNVYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24NO2P/c1-3-21(4-2)19(22)20(15-16-20)24(23,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3.
What are the key properties of 1-diphenylphosphoryl-N,N-diethylcyclopropane-1-carboxamide?
1-diphenylphosphoryl-N,N-diethylcyclopropane-1-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-N,N-diethylcyclopropane-1-carboxamide is sourced from PubChem (CID 698851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).