N,N-diethyl-2-[[(E)-1-naphthalen-1-yl-2-oxo-5-phenylpent-4-enyl]-(2-oxopropoxy)phosphoryl]oxyacetamide

C30H34NO6P — CID 58062093

IUPACN,N-diethyl-2-[[(E)-1-naphthalen-1-yl-2-oxo-5-phenylpent-4-enyl]-(2-oxopropoxy)phosphoryl]oxyacetamide
SMILESCCN(CC)C(=O)COP(=O)(OCC(C)=O)C(C(=O)C/C=C/c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C30H34NO6P/c1-4-31(5-2)29(34)22-37-38(35,36-21-23(3)32)30(27-19-12-17-25-16-9-10-18-26(25)27)28(33)20-11-15-24-13-7-6-8-14-24/h6-19,30H,4-5,20-22H2,1-3H3/b15-11+
InChIKeyPLKSHYLSKKAOAT-RVDMUPIBSA-N
MW535.58 g/mol
LogP6.24
Rot. Bonds14

About N,N-diethyl-2-[[(E)-1-naphthalen-1-yl-2-oxo-5-phenylpent-4-enyl]-(2-oxopropoxy)phosphoryl]oxyacetamide

N,N-diethyl-2-[[(E)-1-naphthalen-1-yl-2-oxo-5-phenylpent-4-enyl]-(2-oxopropoxy)phosphoryl]oxyacetamide (PubChem CID 58062093) has the molecular formula C30H34NO6P and a molecular weight of 535.58 g/mol. Its IUPAC name is N,N-diethyl-2-[[(E)-1-naphthalen-1-yl-2-oxo-5-phenylpent-4-enyl]-(2-oxopropoxy)phosphoryl]oxyacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[(E)-1-naphthalen-1-yl-2-oxo-5-phenylpent-4-enyl]-(2-oxopropoxy)phosphoryl]oxyacetamide
PubChem CID58062093
Molecular FormulaC30H34NO6P
Molecular Weight535.58 g/mol
Exact Mass535.21
IUPAC NameN,N-diethyl-2-[[(E)-1-naphthalen-1-yl-2-oxo-5-phenylpent-4-enyl]-(2-oxopropoxy)phosphoryl]oxyacetamide
SMILESCCN(CC)C(=O)COP(=O)(OCC(C)=O)C(C(=O)C/C=C/c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C30H34NO6P/c1-4-31(5-2)29(34)22-37-38(35,36-21-23(3)32)30(27-19-12-17-25-16-9-10-18-26(25)27)28(33)20-11-15-24-13-7-6-8-14-24/h6-19,30H,4-5,20-22H2,1-3H3/b15-11+
InChIKeyPLKSHYLSKKAOAT-RVDMUPIBSA-N
XLogP6.24
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.58
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[(E)-1-naphthalen-1-yl-2-oxo-5-phenylpent-4-enyl]-(2-oxopropoxy)phosphoryl]oxyacetamide?
The IUPAC name of N,N-diethyl-2-[[(E)-1-naphthalen-1-yl-2-oxo-5-phenylpent-4-enyl]-(2-oxopropoxy)phosphoryl]oxyacetamide (CID 58062093) is N,N-diethyl-2-[[(E)-1-naphthalen-1-yl-2-oxo-5-phenylpent-4-enyl]-(2-oxopropoxy)phosphoryl]oxyacetamide.
What is the SMILES notation for N,N-diethyl-2-[[(E)-1-naphthalen-1-yl-2-oxo-5-phenylpent-4-enyl]-(2-oxopropoxy)phosphoryl]oxyacetamide?
The canonical SMILES for N,N-diethyl-2-[[(E)-1-naphthalen-1-yl-2-oxo-5-phenylpent-4-enyl]-(2-oxopropoxy)phosphoryl]oxyacetamide is CCN(CC)C(=O)COP(=O)(OCC(C)=O)C(C(=O)C/C=C/c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N,N-diethyl-2-[[(E)-1-naphthalen-1-yl-2-oxo-5-phenylpent-4-enyl]-(2-oxopropoxy)phosphoryl]oxyacetamide?
The InChIKey is PLKSHYLSKKAOAT-RVDMUPIBSA-N. The full InChI is InChI=1S/C30H34NO6P/c1-4-31(5-2)29(34)22-37-38(35,36-21-23(3)32)30(27-19-12-17-25-16-9-10-18-26(25)27)28(33)20-11-15-24-13-7-6-8-14-24/h6-19,30H,4-5,20-22H2,1-3H3/b15-11+.
What are the key properties of N,N-diethyl-2-[[(E)-1-naphthalen-1-yl-2-oxo-5-phenylpent-4-enyl]-(2-oxopropoxy)phosphoryl]oxyacetamide?
N,N-diethyl-2-[[(E)-1-naphthalen-1-yl-2-oxo-5-phenylpent-4-enyl]-(2-oxopropoxy)phosphoryl]oxyacetamide has a molecular weight of 535.58 g/mol, XLogP of 6.24, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[(E)-1-naphthalen-1-yl-2-oxo-5-phenylpent-4-enyl]-(2-oxopropoxy)phosphoryl]oxyacetamide is sourced from PubChem (CID 58062093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).