2-diethoxyphosphorylnaphthalene-1-carboxamide

C15H18NO4P — CID 162351368

IUPAC2-diethoxyphosphorylnaphthalene-1-carboxamide
SMILESCCOP(=O)(OCC)c1ccc2ccccc2c1C(N)=O
InChIInChI=1S/C15H18NO4P/c1-3-19-21(18,20-4-2)13-10-9-11-7-5-6-8-12(11)14(13)15(16)17/h5-10H,3-4H2,1-2H3,(H2,16,17)
InChIKeyBVXXDIRVVUTJEP-UHFFFAOYSA-N
MW307.29 g/mol
LogP2.83
Rot. Bonds6

About 2-diethoxyphosphorylnaphthalene-1-carboxamide

2-diethoxyphosphorylnaphthalene-1-carboxamide (PubChem CID 162351368) has the molecular formula C15H18NO4P and a molecular weight of 307.29 g/mol. Its IUPAC name is 2-diethoxyphosphorylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name2-diethoxyphosphorylnaphthalene-1-carboxamide
PubChem CID162351368
Molecular FormulaC15H18NO4P
Molecular Weight307.29 g/mol
Exact Mass307.10
IUPAC Name2-diethoxyphosphorylnaphthalene-1-carboxamide
SMILESCCOP(=O)(OCC)c1ccc2ccccc2c1C(N)=O
InChIInChI=1S/C15H18NO4P/c1-3-19-21(18,20-4-2)13-10-9-11-7-5-6-8-12(11)14(13)15(16)17/h5-10H,3-4H2,1-2H3,(H2,16,17)
InChIKeyBVXXDIRVVUTJEP-UHFFFAOYSA-N
XLogP2.83
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-diethoxyphosphorylnaphthalen-1-yl)benzoic acid
CID 102106648
1-diethoxyphosphoryl-4-methylnaphthalene
CID 122695096
1-diethoxyphosphorylnaphthalen-2-ol
CID 15782261
1-(2-diethoxyphosphorylphenyl)-2-methoxynaphthalene
CID 122233213
2-pentylnaphthalene-1-carboxamide
CID 154106171
ethyl acetate;phenanthrene
CID 160726264
propyl 1-carbamoylnaphthalene-2-sulfonate
CID 174480767
diethoxyphosphoryl(naphthalen-1-yl)methanone
CID 23002000
(1-carbamoylnaphthalen-2-yl) formate
CID 91361931
2-diethoxyphosphoryl-1-(3,4-dihydronaphthalen-1-yl)naphthalene
CID 162414662
2-diethoxyphosphoryl-1-naphthalen-1-ylethanone
CID 152783662
anthracen-9-yl(ethoxy)phosphinic acid
CID 102403899

Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphorylnaphthalene-1-carboxamide?
The IUPAC name of 2-diethoxyphosphorylnaphthalene-1-carboxamide (CID 162351368) is 2-diethoxyphosphorylnaphthalene-1-carboxamide.
What is the SMILES notation for 2-diethoxyphosphorylnaphthalene-1-carboxamide?
The canonical SMILES for 2-diethoxyphosphorylnaphthalene-1-carboxamide is CCOP(=O)(OCC)c1ccc2ccccc2c1C(N)=O.
What is the InChIKey of 2-diethoxyphosphorylnaphthalene-1-carboxamide?
The InChIKey is BVXXDIRVVUTJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18NO4P/c1-3-19-21(18,20-4-2)13-10-9-11-7-5-6-8-12(11)14(13)15(16)17/h5-10H,3-4H2,1-2H3,(H2,16,17).
What are the key properties of 2-diethoxyphosphorylnaphthalene-1-carboxamide?
2-diethoxyphosphorylnaphthalene-1-carboxamide has a molecular weight of 307.29 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphorylnaphthalene-1-carboxamide is sourced from PubChem (CID 162351368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).