(2-naphthalen-2-yl-2-oxoethyl) 4-carbamoylfuran-2-carboxylate

C18H13NO5 — CID 166209682

IUPAC(2-naphthalen-2-yl-2-oxoethyl) 4-carbamoylfuran-2-carboxylate
SMILESNC(=O)c1coc(C(=O)OCC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C18H13NO5/c19-17(21)14-8-16(23-9-14)18(22)24-10-15(20)13-6-5-11-3-1-2-4-12(11)7-13/h1-9H,10H2,(H2,19,21)
InChIKeyUBDNFDRCSFIATA-UHFFFAOYSA-N
MW323.30 g/mol
LogP2.57
Rot. Bonds5

About (2-naphthalen-2-yl-2-oxoethyl) 4-carbamoylfuran-2-carboxylate

(2-naphthalen-2-yl-2-oxoethyl) 4-carbamoylfuran-2-carboxylate (PubChem CID 166209682) has the molecular formula C18H13NO5 and a molecular weight of 323.30 g/mol. Its IUPAC name is (2-naphthalen-2-yl-2-oxoethyl) 4-carbamoylfuran-2-carboxylate.

Molecular Properties

Compound Name(2-naphthalen-2-yl-2-oxoethyl) 4-carbamoylfuran-2-carboxylate
PubChem CID166209682
Molecular FormulaC18H13NO5
Molecular Weight323.30 g/mol
Exact Mass323.08
IUPAC Name(2-naphthalen-2-yl-2-oxoethyl) 4-carbamoylfuran-2-carboxylate
SMILESNC(=O)c1coc(C(=O)OCC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C18H13NO5/c19-17(21)14-8-16(23-9-14)18(22)24-10-15(20)13-6-5-11-3-1-2-4-12(11)7-13/h1-9H,10H2,(H2,19,21)
InChIKeyUBDNFDRCSFIATA-UHFFFAOYSA-N
XLogP2.57
TPSA99.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-phenylphenyl)ethyl] naphthalene-2-carboxylate
CID 7698509
(2-naphthalen-2-yl-2-oxoethyl) 2-phenylacetate
CID 888123
(2-naphthalen-2-yl-2-oxoethyl) 3,4,5-trimethoxybenzoate
CID 40612973
(2-naphthalen-2-yl-2-oxoethyl) 4-[(4-bromophenoxy)methyl]benzoate
CID 126190799
(2-naphthalen-2-yl-2-oxoethyl) (2S)-2-hydroxy-3-methylbutanoate
CID 57379444
(2-naphthalen-2-yl-2-oxoethyl) 1H-indole-3-carboxylate
CID 27535021
bis(2-naphthalen-2-yl-2-oxoethoxy)-oxophosphanium
CID 174874865
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
1-naphthalen-2-yl-2-propan-2-yloxyethanone
CID 79567011
(2-naphthalen-2-yl-2-oxoethyl) 5-chloro-2-methoxybenzoate
CID 7291387
(2-naphthalen-2-yl-2-oxoethyl) 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate
CID 23744608
tetracene-2-carboxamide;hydrobromide
CID 22400124

Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-2-yl-2-oxoethyl) 4-carbamoylfuran-2-carboxylate?
The IUPAC name of (2-naphthalen-2-yl-2-oxoethyl) 4-carbamoylfuran-2-carboxylate (CID 166209682) is (2-naphthalen-2-yl-2-oxoethyl) 4-carbamoylfuran-2-carboxylate.
What is the SMILES notation for (2-naphthalen-2-yl-2-oxoethyl) 4-carbamoylfuran-2-carboxylate?
The canonical SMILES for (2-naphthalen-2-yl-2-oxoethyl) 4-carbamoylfuran-2-carboxylate is NC(=O)c1coc(C(=O)OCC(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of (2-naphthalen-2-yl-2-oxoethyl) 4-carbamoylfuran-2-carboxylate?
The InChIKey is UBDNFDRCSFIATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO5/c19-17(21)14-8-16(23-9-14)18(22)24-10-15(20)13-6-5-11-3-1-2-4-12(11)7-13/h1-9H,10H2,(H2,19,21).
What are the key properties of (2-naphthalen-2-yl-2-oxoethyl) 4-carbamoylfuran-2-carboxylate?
(2-naphthalen-2-yl-2-oxoethyl) 4-carbamoylfuran-2-carboxylate has a molecular weight of 323.30 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-2-yl-2-oxoethyl) 4-carbamoylfuran-2-carboxylate is sourced from PubChem (CID 166209682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).