methyl N-buta-2,3-dienyl-N-(3,5-dimethoxyphenyl)carbamate

C14H17NO4 — CID 101444053

IUPACmethyl N-buta-2,3-dienyl-N-(3,5-dimethoxyphenyl)carbamate
SMILESC=C=CCN(C(=O)OC)c1cc(OC)cc(OC)c1
InChIInChI=1S/C14H17NO4/c1-5-6-7-15(14(16)19-4)11-8-12(17-2)10-13(9-11)18-3/h6,8-10H,1,7H2,2-4H3
InChIKeyGNEAQRVFFKUCJZ-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.62
Rot. Bonds5

About methyl N-buta-2,3-dienyl-N-(3,5-dimethoxyphenyl)carbamate

methyl N-buta-2,3-dienyl-N-(3,5-dimethoxyphenyl)carbamate (PubChem CID 101444053) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl N-buta-2,3-dienyl-N-(3,5-dimethoxyphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-buta-2,3-dienyl-N-(3,5-dimethoxyphenyl)carbamate
PubChem CID101444053
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl N-buta-2,3-dienyl-N-(3,5-dimethoxyphenyl)carbamate
SMILESC=C=CCN(C(=O)OC)c1cc(OC)cc(OC)c1
InChIInChI=1S/C14H17NO4/c1-5-6-7-15(14(16)19-4)11-8-12(17-2)10-13(9-11)18-3/h6,8-10H,1,7H2,2-4H3
InChIKeyGNEAQRVFFKUCJZ-UHFFFAOYSA-N
XLogP2.62
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-buta-2,3-dienyl-N-(3,5-dimethoxyphenyl)carbamate?
The IUPAC name of methyl N-buta-2,3-dienyl-N-(3,5-dimethoxyphenyl)carbamate (CID 101444053) is methyl N-buta-2,3-dienyl-N-(3,5-dimethoxyphenyl)carbamate.
What is the SMILES notation for methyl N-buta-2,3-dienyl-N-(3,5-dimethoxyphenyl)carbamate?
The canonical SMILES for methyl N-buta-2,3-dienyl-N-(3,5-dimethoxyphenyl)carbamate is C=C=CCN(C(=O)OC)c1cc(OC)cc(OC)c1.
What is the InChIKey of methyl N-buta-2,3-dienyl-N-(3,5-dimethoxyphenyl)carbamate?
The InChIKey is GNEAQRVFFKUCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-5-6-7-15(14(16)19-4)11-8-12(17-2)10-13(9-11)18-3/h6,8-10H,1,7H2,2-4H3.
What are the key properties of methyl N-buta-2,3-dienyl-N-(3,5-dimethoxyphenyl)carbamate?
methyl N-buta-2,3-dienyl-N-(3,5-dimethoxyphenyl)carbamate has a molecular weight of 263.29 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-buta-2,3-dienyl-N-(3,5-dimethoxyphenyl)carbamate is sourced from PubChem (CID 101444053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).