naphthalen-2-ylmethyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate

C20H23NO4 — CID 85059853

IUPACnaphthalen-2-ylmethyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate
SMILESCOC1(C(N)=CC(=O)OCc2ccc3ccccc3c2)CCOCC1
InChIInChI=1S/C20H23NO4/c1-23-20(8-10-24-11-9-20)18(21)13-19(22)25-14-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,12-13H,8-11,14,21H2,1H3
InChIKeyFHGZRTFSCUOKLD-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.92
Rot. Bonds5

About naphthalen-2-ylmethyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate

naphthalen-2-ylmethyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate (PubChem CID 85059853) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is naphthalen-2-ylmethyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate.

Molecular Properties

Compound Namenaphthalen-2-ylmethyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate
PubChem CID85059853
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namenaphthalen-2-ylmethyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate
SMILESCOC1(C(N)=CC(=O)OCc2ccc3ccccc3c2)CCOCC1
InChIInChI=1S/C20H23NO4/c1-23-20(8-10-24-11-9-20)18(21)13-19(22)25-14-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,12-13H,8-11,14,21H2,1H3
InChIKeyFHGZRTFSCUOKLD-UHFFFAOYSA-N
XLogP2.92
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

naphthalen-2-ylmethyl (Z)-3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate
CID 9884410
(E)-3-amino-3-(4-methoxyoxan-4-yl)-2-(naphthalen-2-ylmethyl)prop-2-enoic acid
CID 67845317
Ethyl 5-anthracen-9-yl-2,5-dihydro-1,2-oxazole-3-carboxylate
CID 91527948
Anthracen-9-ylmethyl 2-aminoprop-2-enoate;methyl 2-methylprop-2-enoate
CID 143687824
[2-Methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 2-amino-2-methylpropanoate
CID 146582262
[2-Methyl-4-(2-naphthalen-2-ylpropan-2-yloxy)butan-2-yl] 2-aminoacetate
CID 156123143
benzyl (Z)-3-(2-methylnaphthalen-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoate
CID 101595769
4-ethoxy-2-methyl-2-naphthalen-2-yl-3H-pyran-6-one
CID 102513906
Anthracen-9-ylmethyl 2-aminoprop-2-enoate
CID 143687825

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-ylmethyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate?
The IUPAC name of naphthalen-2-ylmethyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate (CID 85059853) is naphthalen-2-ylmethyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate.
What is the SMILES notation for naphthalen-2-ylmethyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate?
The canonical SMILES for naphthalen-2-ylmethyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate is COC1(C(N)=CC(=O)OCc2ccc3ccccc3c2)CCOCC1.
What is the InChIKey of naphthalen-2-ylmethyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate?
The InChIKey is FHGZRTFSCUOKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-23-20(8-10-24-11-9-20)18(21)13-19(22)25-14-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,12-13H,8-11,14,21H2,1H3.
What are the key properties of naphthalen-2-ylmethyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate?
naphthalen-2-ylmethyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate has a molecular weight of 341.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-ylmethyl 3-amino-3-(4-methoxyoxan-4-yl)prop-2-enoate is sourced from PubChem (CID 85059853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).