[(E)-3-(5,5-dimethyl-4-oxofuran-2-yl)but-2-enyl] N-(4-methoxyphenyl)carbamate

C18H21NO5 — CID 10471889

IUPAC[(E)-3-(5,5-dimethyl-4-oxofuran-2-yl)but-2-enyl] N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OC/C=C(\C)C2=CC(=O)C(C)(C)O2)cc1
InChIInChI=1S/C18H21NO5/c1-12(15-11-16(20)18(2,3)24-15)9-10-23-17(21)19-13-5-7-14(22-4)8-6-13/h5-9,11H,10H2,1-4H3,(H,19,21)/b12-9+
InChIKeyBAXASSPFZBHYBR-FMIVXFBMSA-N
MW331.37 g/mol
LogP3.45
Rot. Bonds5

About [(E)-3-(5,5-dimethyl-4-oxofuran-2-yl)but-2-enyl] N-(4-methoxyphenyl)carbamate

[(E)-3-(5,5-dimethyl-4-oxofuran-2-yl)but-2-enyl] N-(4-methoxyphenyl)carbamate (PubChem CID 10471889) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is [(E)-3-(5,5-dimethyl-4-oxofuran-2-yl)but-2-enyl] N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Name[(E)-3-(5,5-dimethyl-4-oxofuran-2-yl)but-2-enyl] N-(4-methoxyphenyl)carbamate
PubChem CID10471889
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name[(E)-3-(5,5-dimethyl-4-oxofuran-2-yl)but-2-enyl] N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OC/C=C(\C)C2=CC(=O)C(C)(C)O2)cc1
InChIInChI=1S/C18H21NO5/c1-12(15-11-16(20)18(2,3)24-15)9-10-23-17(21)19-13-5-7-14(22-4)8-6-13/h5-9,11H,10H2,1-4H3,(H,19,21)/b12-9+
InChIKeyBAXASSPFZBHYBR-FMIVXFBMSA-N
XLogP3.45
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(E)-3-(5,5-dimethyl-4-oxofuran-2-yl)but-2-enyl] N-(4-methoxyphenyl)carbamate with MolForge

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Related Compounds

[(1R,7S)-1,7-dimethyl-2,6-dioxa-10-azoniatricyclo[5.2.1.04,10]decan-4-yl]methyl N-(4-methoxyphenyl)carbamate
CID 7263551
2-chloroethyl N-(4-methoxyphenyl)carbamate
CID 4190237
[2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate
CID 122366886
(1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decan-4-yl)methyl N-(4-methoxyphenyl)carbamate
CID 4749408
[(1S,7S)-1,7-dimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decan-4-yl]methyl N-(4-methoxyphenyl)carbamate
CID 7263555
[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl] N-phenylcarbamate
CID 14889933
N-(4-methoxyphenyl)-2-methyloxirane-2-carboxamide
CID 87336938
hexadecyl N-(4-methoxyphenyl)carbamate
CID 46229876
2,3-dimethylpentyl N-(4-methoxyphenyl)carbamate
CID 155404047
3,4,5,7-tetrahydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazol-4-ium-7a-ylmethyl N-(4-methoxyphenyl)carbamate
CID 6929334
3-phenylpropyl N-(4-methoxyphenyl)carbamate
CID 102129676
(1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate
CID 79337138

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(5,5-dimethyl-4-oxofuran-2-yl)but-2-enyl] N-(4-methoxyphenyl)carbamate?
The IUPAC name of [(E)-3-(5,5-dimethyl-4-oxofuran-2-yl)but-2-enyl] N-(4-methoxyphenyl)carbamate (CID 10471889) is [(E)-3-(5,5-dimethyl-4-oxofuran-2-yl)but-2-enyl] N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for [(E)-3-(5,5-dimethyl-4-oxofuran-2-yl)but-2-enyl] N-(4-methoxyphenyl)carbamate?
The canonical SMILES for [(E)-3-(5,5-dimethyl-4-oxofuran-2-yl)but-2-enyl] N-(4-methoxyphenyl)carbamate is COc1ccc(NC(=O)OC/C=C(\C)C2=CC(=O)C(C)(C)O2)cc1.
What is the InChIKey of [(E)-3-(5,5-dimethyl-4-oxofuran-2-yl)but-2-enyl] N-(4-methoxyphenyl)carbamate?
The InChIKey is BAXASSPFZBHYBR-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H21NO5/c1-12(15-11-16(20)18(2,3)24-15)9-10-23-17(21)19-13-5-7-14(22-4)8-6-13/h5-9,11H,10H2,1-4H3,(H,19,21)/b12-9+.
What are the key properties of [(E)-3-(5,5-dimethyl-4-oxofuran-2-yl)but-2-enyl] N-(4-methoxyphenyl)carbamate?
[(E)-3-(5,5-dimethyl-4-oxofuran-2-yl)but-2-enyl] N-(4-methoxyphenyl)carbamate has a molecular weight of 331.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(5,5-dimethyl-4-oxofuran-2-yl)but-2-enyl] N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 10471889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).