ethyl 2-[[4-methylpent-3-enyl(naphthalen-1-yloxy)phosphoryl]amino]acetate

C20H26NO4P — CID 162662771

IUPACethyl 2-[[4-methylpent-3-enyl(naphthalen-1-yloxy)phosphoryl]amino]acetate
SMILESCCOC(=O)CNP(=O)(CCC=C(C)C)Oc1cccc2ccccc12
InChIInChI=1S/C20H26NO4P/c1-4-24-20(22)15-21-26(23,14-8-9-16(2)3)25-19-13-7-11-17-10-5-6-12-18(17)19/h5-7,9-13H,4,8,14-15H2,1-3H3,(H,21,23)
InChIKeyBBXRNDBOBQPOMY-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.92
Rot. Bonds9

About ethyl 2-[[4-methylpent-3-enyl(naphthalen-1-yloxy)phosphoryl]amino]acetate

ethyl 2-[[4-methylpent-3-enyl(naphthalen-1-yloxy)phosphoryl]amino]acetate (PubChem CID 162662771) has the molecular formula C20H26NO4P and a molecular weight of 375.41 g/mol. Its IUPAC name is ethyl 2-[[4-methylpent-3-enyl(naphthalen-1-yloxy)phosphoryl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-methylpent-3-enyl(naphthalen-1-yloxy)phosphoryl]amino]acetate
PubChem CID162662771
Molecular FormulaC20H26NO4P
Molecular Weight375.41 g/mol
Exact Mass375.16
IUPAC Nameethyl 2-[[4-methylpent-3-enyl(naphthalen-1-yloxy)phosphoryl]amino]acetate
SMILESCCOC(=O)CNP(=O)(CCC=C(C)C)Oc1cccc2ccccc12
InChIInChI=1S/C20H26NO4P/c1-4-24-20(22)15-21-26(23,14-8-9-16(2)3)25-19-13-7-11-17-10-5-6-12-18(17)19/h5-7,9-13H,4,8,14-15H2,1-3H3,(H,21,23)
InChIKeyBBXRNDBOBQPOMY-UHFFFAOYSA-N
XLogP4.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-methylpent-3-enyl(naphthalen-1-yloxy)phosphoryl]amino]acetate?
The IUPAC name of ethyl 2-[[4-methylpent-3-enyl(naphthalen-1-yloxy)phosphoryl]amino]acetate (CID 162662771) is ethyl 2-[[4-methylpent-3-enyl(naphthalen-1-yloxy)phosphoryl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-methylpent-3-enyl(naphthalen-1-yloxy)phosphoryl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-methylpent-3-enyl(naphthalen-1-yloxy)phosphoryl]amino]acetate is CCOC(=O)CNP(=O)(CCC=C(C)C)Oc1cccc2ccccc12.
What is the InChIKey of ethyl 2-[[4-methylpent-3-enyl(naphthalen-1-yloxy)phosphoryl]amino]acetate?
The InChIKey is BBXRNDBOBQPOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26NO4P/c1-4-24-20(22)15-21-26(23,14-8-9-16(2)3)25-19-13-7-11-17-10-5-6-12-18(17)19/h5-7,9-13H,4,8,14-15H2,1-3H3,(H,21,23).
What are the key properties of ethyl 2-[[4-methylpent-3-enyl(naphthalen-1-yloxy)phosphoryl]amino]acetate?
ethyl 2-[[4-methylpent-3-enyl(naphthalen-1-yloxy)phosphoryl]amino]acetate has a molecular weight of 375.41 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-methylpent-3-enyl(naphthalen-1-yloxy)phosphoryl]amino]acetate is sourced from PubChem (CID 162662771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).