2-[bis[2-(dimethylamino)ethoxy]phosphoryl]-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide

C28H36N3O4P — CID 90883777

IUPAC2-[bis[2-(dimethylamino)ethoxy]phosphoryl]-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide
SMILESCN(C)CCOP(=O)(OCCN(C)C)C(C(=O)NC=Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C28H36N3O4P/c1-30(2)19-21-34-36(33,35-22-20-31(3)4)27(26-16-10-14-24-13-8-9-15-25(24)26)28(32)29-18-17-23-11-6-5-7-12-23/h5-18,27H,19-22H2,1-4H3,(H,29,32)
InChIKeyYDEJZBVEWWHVQD-UHFFFAOYSA-N
MW509.59 g/mol
LogP5.02
Rot. Bonds13

About 2-[bis[2-(dimethylamino)ethoxy]phosphoryl]-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide

2-[bis[2-(dimethylamino)ethoxy]phosphoryl]-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide (PubChem CID 90883777) has the molecular formula C28H36N3O4P and a molecular weight of 509.59 g/mol. Its IUPAC name is 2-[bis[2-(dimethylamino)ethoxy]phosphoryl]-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide.

Molecular Properties

Compound Name2-[bis[2-(dimethylamino)ethoxy]phosphoryl]-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide
PubChem CID90883777
Molecular FormulaC28H36N3O4P
Molecular Weight509.59 g/mol
Exact Mass509.24
IUPAC Name2-[bis[2-(dimethylamino)ethoxy]phosphoryl]-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide
SMILESCN(C)CCOP(=O)(OCCN(C)C)C(C(=O)NC=Cc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C28H36N3O4P/c1-30(2)19-21-34-36(33,35-22-20-31(3)4)27(26-16-10-14-24-13-8-9-15-25(24)26)28(32)29-18-17-23-11-6-5-7-12-23/h5-18,27H,19-22H2,1-4H3,(H,29,32)
InChIKeyYDEJZBVEWWHVQD-UHFFFAOYSA-N
XLogP5.02
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.59
LogP ≤ 55.02
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-bis[2-(diethylamino)-2-oxoethoxy]phosphoryl-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide
CID 11786673
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

Frequently Asked Questions

What is the IUPAC name of 2-[bis[2-(dimethylamino)ethoxy]phosphoryl]-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide?
The IUPAC name of 2-[bis[2-(dimethylamino)ethoxy]phosphoryl]-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide (CID 90883777) is 2-[bis[2-(dimethylamino)ethoxy]phosphoryl]-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide.
What is the SMILES notation for 2-[bis[2-(dimethylamino)ethoxy]phosphoryl]-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide?
The canonical SMILES for 2-[bis[2-(dimethylamino)ethoxy]phosphoryl]-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide is CN(C)CCOP(=O)(OCCN(C)C)C(C(=O)NC=Cc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 2-[bis[2-(dimethylamino)ethoxy]phosphoryl]-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide?
The InChIKey is YDEJZBVEWWHVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N3O4P/c1-30(2)19-21-34-36(33,35-22-20-31(3)4)27(26-16-10-14-24-13-8-9-15-25(24)26)28(32)29-18-17-23-11-6-5-7-12-23/h5-18,27H,19-22H2,1-4H3,(H,29,32).
What are the key properties of 2-[bis[2-(dimethylamino)ethoxy]phosphoryl]-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide?
2-[bis[2-(dimethylamino)ethoxy]phosphoryl]-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide has a molecular weight of 509.59 g/mol, XLogP of 5.02, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[2-(dimethylamino)ethoxy]phosphoryl]-2-naphthalen-1-yl-N-(2-phenylethenyl)acetamide is sourced from PubChem (CID 90883777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).