butyl (E)-3-[1-(dimethylcarbamoyloxy)naphthalen-2-yl]prop-2-enoate

C20H23NO4 — CID 71615627

IUPACbutyl (E)-3-[1-(dimethylcarbamoyloxy)naphthalen-2-yl]prop-2-enoate
SMILESCCCCOC(=O)/C=C/c1ccc2ccccc2c1OC(=O)N(C)C
InChIInChI=1S/C20H23NO4/c1-4-5-14-24-18(22)13-12-16-11-10-15-8-6-7-9-17(15)19(16)25-20(23)21(2)3/h6-13H,4-5,14H2,1-3H3/b13-12+
InChIKeyGSIORMIDWKFNGZ-OUKQBFOZSA-N
MW341.41 g/mol
LogP4.26
Rot. Bonds6

About butyl (E)-3-[1-(dimethylcarbamoyloxy)naphthalen-2-yl]prop-2-enoate

butyl (E)-3-[1-(dimethylcarbamoyloxy)naphthalen-2-yl]prop-2-enoate (PubChem CID 71615627) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is butyl (E)-3-[1-(dimethylcarbamoyloxy)naphthalen-2-yl]prop-2-enoate.

Molecular Properties

Compound Namebutyl (E)-3-[1-(dimethylcarbamoyloxy)naphthalen-2-yl]prop-2-enoate
PubChem CID71615627
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namebutyl (E)-3-[1-(dimethylcarbamoyloxy)naphthalen-2-yl]prop-2-enoate
SMILESCCCCOC(=O)/C=C/c1ccc2ccccc2c1OC(=O)N(C)C
InChIInChI=1S/C20H23NO4/c1-4-5-14-24-18(22)13-12-16-11-10-15-8-6-7-9-17(15)19(16)25-20(23)21(2)3/h6-13H,4-5,14H2,1-3H3/b13-12+
InChIKeyGSIORMIDWKFNGZ-OUKQBFOZSA-N
XLogP4.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(E)-3-butoxy-3-oxoprop-1-enyl]naphthalene-1-carboxylate
CID 71812562
butyl (E)-3-pyren-1-ylprop-2-enoate
CID 102493637
butyl (E)-3-(2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-8-yl)prop-2-enoate
CID 126641501
butyl 3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 140807759
butyl 3-[2-(dihydroxymethyl)phenyl]prop-2-enoate
CID 174613313
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
ethyl (E)-3-[5-tert-butyl-2-(dimethylcarbamoyloxy)-3-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 71613276
butyl (E)-3-(3-methylquinolin-2-yl)prop-2-enoate
CID 101493047
butyl (E)-3-[3-[di(propan-2-yl)carbamothioyl]naphthalen-2-yl]prop-2-enoate
CID 122374687
butyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 102254544
ethyl (E)-3-(2-butoxyphenyl)prop-2-enoate
CID 102534694
butyl (E)-3-[2-(1-methylbenzimidazol-2-yl)phenyl]prop-2-enoate
CID 57332316

Frequently Asked Questions

What is the IUPAC name of butyl (E)-3-[1-(dimethylcarbamoyloxy)naphthalen-2-yl]prop-2-enoate?
The IUPAC name of butyl (E)-3-[1-(dimethylcarbamoyloxy)naphthalen-2-yl]prop-2-enoate (CID 71615627) is butyl (E)-3-[1-(dimethylcarbamoyloxy)naphthalen-2-yl]prop-2-enoate.
What is the SMILES notation for butyl (E)-3-[1-(dimethylcarbamoyloxy)naphthalen-2-yl]prop-2-enoate?
The canonical SMILES for butyl (E)-3-[1-(dimethylcarbamoyloxy)naphthalen-2-yl]prop-2-enoate is CCCCOC(=O)/C=C/c1ccc2ccccc2c1OC(=O)N(C)C.
What is the InChIKey of butyl (E)-3-[1-(dimethylcarbamoyloxy)naphthalen-2-yl]prop-2-enoate?
The InChIKey is GSIORMIDWKFNGZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-5-14-24-18(22)13-12-16-11-10-15-8-6-7-9-17(15)19(16)25-20(23)21(2)3/h6-13H,4-5,14H2,1-3H3/b13-12+.
What are the key properties of butyl (E)-3-[1-(dimethylcarbamoyloxy)naphthalen-2-yl]prop-2-enoate?
butyl (E)-3-[1-(dimethylcarbamoyloxy)naphthalen-2-yl]prop-2-enoate has a molecular weight of 341.41 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (E)-3-[1-(dimethylcarbamoyloxy)naphthalen-2-yl]prop-2-enoate is sourced from PubChem (CID 71615627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).