2-bis[2-(diethylamino)-2-oxoethoxy]phosphoryl-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide

C32H40N3O6P — CID 11786673

IUPAC2-bis[2-(diethylamino)-2-oxoethoxy]phosphoryl-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide
SMILESCCN(CC)C(=O)COP(=O)(OCC(=O)N(CC)CC)C(C(=O)N/C=C/c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C32H40N3O6P/c1-5-34(6-2)29(36)23-40-42(39,41-24-30(37)35(7-3)8-4)31(28-20-14-18-26-17-12-13-19-27(26)28)32(38)33-22-21-25-15-10-9-11-16-25/h9-22,31H,5-8,23-24H2,1-4H3,(H,33,38)/b22-21+
InChIKeyRXBDRJYWZAYRHO-QURGRASLSA-N
MW593.66 g/mol
LogP5.63
Rot. Bonds15

About 2-bis[2-(diethylamino)-2-oxoethoxy]phosphoryl-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide

2-bis[2-(diethylamino)-2-oxoethoxy]phosphoryl-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide (PubChem CID 11786673) has the molecular formula C32H40N3O6P and a molecular weight of 593.66 g/mol. Its IUPAC name is 2-bis[2-(diethylamino)-2-oxoethoxy]phosphoryl-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide.

Molecular Properties

Compound Name2-bis[2-(diethylamino)-2-oxoethoxy]phosphoryl-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide
PubChem CID11786673
Molecular FormulaC32H40N3O6P
Molecular Weight593.66 g/mol
Exact Mass593.27
IUPAC Name2-bis[2-(diethylamino)-2-oxoethoxy]phosphoryl-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide
SMILESCCN(CC)C(=O)COP(=O)(OCC(=O)N(CC)CC)C(C(=O)N/C=C/c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C32H40N3O6P/c1-5-34(6-2)29(36)23-40-42(39,41-24-30(37)35(7-3)8-4)31(28-20-14-18-26-17-12-13-19-27(26)28)32(38)33-22-21-25-15-10-9-11-16-25/h9-22,31H,5-8,23-24H2,1-4H3,(H,33,38)/b22-21+
InChIKeyRXBDRJYWZAYRHO-QURGRASLSA-N
XLogP5.63
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.66
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(R)-O-[2-(2-Naphthaleneacetamido)isohexyl] phosphocholine
CID 15667280
O-[2-(2-Naphthaleneacetamido)ethyl] phosphocholine
CID 44331347
S-[2-[2-(2,2-dimethylpropanoylsulfanyl)ethoxy-[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphoryl]oxyethyl] 2,2-dimethylpropanethioate
CID 11169756
2-(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide
CID 11201391
[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphonic acid
CID 11233947
2,2-dimethylpropanoyloxymethoxy-[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphinic acid
CID 11271602
2-[bis(3-methoxypropoxy)phosphoryl]-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide
CID 11375678
3-methoxypropoxy-[1-naphthalen-1-yl-2-oxo-2-[[(E)-2-phenylethenyl]amino]ethyl]phosphinic acid
CID 11396514
2-naphthalen-1-yl-2-(2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)-N-[(E)-2-phenylethenyl]acetamide
CID 25264787
N,N-diethyl-2-[[(E)-1-naphthalen-1-yl-2-oxo-5-phenylpent-4-enyl]-(2-oxopropoxy)phosphoryl]oxyacetamide
CID 58062093
[1-Naphthalen-1-yl-2-oxo-2-(2-phenylethenylamino)ethyl]phosphonic acid
CID 68923269
2-(1,3,2-dioxaphosphinan-2-yl)-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide
CID 68991997

Frequently Asked Questions

What is the IUPAC name of 2-bis[2-(diethylamino)-2-oxoethoxy]phosphoryl-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide?
The IUPAC name of 2-bis[2-(diethylamino)-2-oxoethoxy]phosphoryl-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide (CID 11786673) is 2-bis[2-(diethylamino)-2-oxoethoxy]phosphoryl-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide.
What is the SMILES notation for 2-bis[2-(diethylamino)-2-oxoethoxy]phosphoryl-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide?
The canonical SMILES for 2-bis[2-(diethylamino)-2-oxoethoxy]phosphoryl-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide is CCN(CC)C(=O)COP(=O)(OCC(=O)N(CC)CC)C(C(=O)N/C=C/c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 2-bis[2-(diethylamino)-2-oxoethoxy]phosphoryl-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide?
The InChIKey is RXBDRJYWZAYRHO-QURGRASLSA-N. The full InChI is InChI=1S/C32H40N3O6P/c1-5-34(6-2)29(36)23-40-42(39,41-24-30(37)35(7-3)8-4)31(28-20-14-18-26-17-12-13-19-27(26)28)32(38)33-22-21-25-15-10-9-11-16-25/h9-22,31H,5-8,23-24H2,1-4H3,(H,33,38)/b22-21+.
What are the key properties of 2-bis[2-(diethylamino)-2-oxoethoxy]phosphoryl-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide?
2-bis[2-(diethylamino)-2-oxoethoxy]phosphoryl-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide has a molecular weight of 593.66 g/mol, XLogP of 5.63, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis[2-(diethylamino)-2-oxoethoxy]phosphoryl-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide is sourced from PubChem (CID 11786673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).