2-[bis(3-methoxypropoxy)phosphoryl]-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide

C28H34NO6P — CID 11375678

IUPAC2-[bis(3-methoxypropoxy)phosphoryl]-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide
SMILESCOCCCOP(=O)(OCCCOC)C(C(=O)N/C=C/c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C28H34NO6P/c1-32-19-9-21-34-36(31,35-22-10-20-33-2)27(26-16-8-14-24-13-6-7-15-25(24)26)28(30)29-18-17-23-11-4-3-5-12-23/h3-8,11-18,27H,9-10,19-22H2,1-2H3,(H,29,30)/b18-17+
InChIKeyRDZGGAJDPPCXET-ISLYRVAYSA-N
MW511.56 g/mol
LogP5.97
Rot. Bonds15

About 2-[bis(3-methoxypropoxy)phosphoryl]-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide

2-[bis(3-methoxypropoxy)phosphoryl]-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide (PubChem CID 11375678) has the molecular formula C28H34NO6P and a molecular weight of 511.56 g/mol. Its IUPAC name is 2-[bis(3-methoxypropoxy)phosphoryl]-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide.

Molecular Properties

Compound Name2-[bis(3-methoxypropoxy)phosphoryl]-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide
PubChem CID11375678
Molecular FormulaC28H34NO6P
Molecular Weight511.56 g/mol
Exact Mass511.21
IUPAC Name2-[bis(3-methoxypropoxy)phosphoryl]-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide
SMILESCOCCCOP(=O)(OCCCOC)C(C(=O)N/C=C/c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C28H34NO6P/c1-32-19-9-21-34-36(31,35-22-10-20-33-2)27(26-16-8-14-24-13-6-7-15-25(24)26)28(30)29-18-17-23-11-4-3-5-12-23/h3-8,11-18,27H,9-10,19-22H2,1-2H3,(H,29,30)/b18-17+
InChIKeyRDZGGAJDPPCXET-ISLYRVAYSA-N
XLogP5.97
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.56
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(3-methoxypropoxy)phosphoryl]-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide?
The IUPAC name of 2-[bis(3-methoxypropoxy)phosphoryl]-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide (CID 11375678) is 2-[bis(3-methoxypropoxy)phosphoryl]-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide.
What is the SMILES notation for 2-[bis(3-methoxypropoxy)phosphoryl]-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide?
The canonical SMILES for 2-[bis(3-methoxypropoxy)phosphoryl]-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide is COCCCOP(=O)(OCCCOC)C(C(=O)N/C=C/c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 2-[bis(3-methoxypropoxy)phosphoryl]-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide?
The InChIKey is RDZGGAJDPPCXET-ISLYRVAYSA-N. The full InChI is InChI=1S/C28H34NO6P/c1-32-19-9-21-34-36(31,35-22-10-20-33-2)27(26-16-8-14-24-13-6-7-15-25(24)26)28(30)29-18-17-23-11-4-3-5-12-23/h3-8,11-18,27H,9-10,19-22H2,1-2H3,(H,29,30)/b18-17+.
What are the key properties of 2-[bis(3-methoxypropoxy)phosphoryl]-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide?
2-[bis(3-methoxypropoxy)phosphoryl]-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide has a molecular weight of 511.56 g/mol, XLogP of 5.97, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(3-methoxypropoxy)phosphoryl]-2-naphthalen-1-yl-N-[(E)-2-phenylethenyl]acetamide is sourced from PubChem (CID 11375678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).