ethene;ethyl N-(2-formyl-3,4-dimethoxyphenyl)carbamate

C14H19NO5 — CID 88660508

IUPACethene;ethyl N-(2-formyl-3,4-dimethoxyphenyl)carbamate
SMILESC=C.CCOC(=O)Nc1ccc(OC)c(OC)c1C=O
InChIInChI=1S/C12H15NO5.C2H4/c1-4-18-12(15)13-9-5-6-10(16-2)11(17-3)8(9)7-14;1-2/h5-7H,4H2,1-3H3,(H,13,15);1-2H2
InChIKeyFFFDNFIYVFHHDH-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.89
Rot. Bonds5

About ethene;ethyl N-(2-formyl-3,4-dimethoxyphenyl)carbamate

ethene;ethyl N-(2-formyl-3,4-dimethoxyphenyl)carbamate (PubChem CID 88660508) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is ethene;ethyl N-(2-formyl-3,4-dimethoxyphenyl)carbamate.

Molecular Properties

Compound Nameethene;ethyl N-(2-formyl-3,4-dimethoxyphenyl)carbamate
PubChem CID88660508
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Nameethene;ethyl N-(2-formyl-3,4-dimethoxyphenyl)carbamate
SMILESC=C.CCOC(=O)Nc1ccc(OC)c(OC)c1C=O
InChIInChI=1S/C12H15NO5.C2H4/c1-4-18-12(15)13-9-5-6-10(16-2)11(17-3)8(9)7-14;1-2/h5-7H,4H2,1-3H3,(H,13,15);1-2H2
InChIKeyFFFDNFIYVFHHDH-UHFFFAOYSA-N
XLogP2.89
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
ethyl N-(2-formyl-4-methylphenyl)carbamate
CID 135178172
ethyl N-(4-formyl-3-methoxyphenyl)carbamate
CID 19765047
N-(2,4-dimethoxy-3-methylphenyl)-2-oxoacetamide
CID 115165932
ethyl N-[4-methoxy-3-(methylamino)phenyl]carbamate
CID 163895586
3-ethoxy-6-hydroxy-2-methoxybenzaldehyde
CID 134891938
benzyl N-[2-(2-formyl-3,4-dimethoxyphenyl)ethyl]carbamate
CID 10315399
6-chloro-2,3-dimethoxybenzaldehyde
CID 19389247
ethyl N-[3-(ethoxycarbonylamino)-4-(2-methoxyanilino)phenyl]carbamate
CID 110178963
ethyl N-[2-hydroxy-5-methoxy-4-(methylamino)phenyl]carbamate
CID 70034657
ethyl N-(4-amino-5-iodo-2-methoxyphenyl)carbamate
CID 59228675
ethyl N-(5-bromo-4-chloro-2-methoxyphenyl)carbamate
CID 134113322

Frequently Asked Questions

What is the IUPAC name of ethene;ethyl N-(2-formyl-3,4-dimethoxyphenyl)carbamate?
The IUPAC name of ethene;ethyl N-(2-formyl-3,4-dimethoxyphenyl)carbamate (CID 88660508) is ethene;ethyl N-(2-formyl-3,4-dimethoxyphenyl)carbamate.
What is the SMILES notation for ethene;ethyl N-(2-formyl-3,4-dimethoxyphenyl)carbamate?
The canonical SMILES for ethene;ethyl N-(2-formyl-3,4-dimethoxyphenyl)carbamate is C=C.CCOC(=O)Nc1ccc(OC)c(OC)c1C=O.
What is the InChIKey of ethene;ethyl N-(2-formyl-3,4-dimethoxyphenyl)carbamate?
The InChIKey is FFFDNFIYVFHHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5.C2H4/c1-4-18-12(15)13-9-5-6-10(16-2)11(17-3)8(9)7-14;1-2/h5-7H,4H2,1-3H3,(H,13,15);1-2H2.
What are the key properties of ethene;ethyl N-(2-formyl-3,4-dimethoxyphenyl)carbamate?
ethene;ethyl N-(2-formyl-3,4-dimethoxyphenyl)carbamate has a molecular weight of 281.31 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;ethyl N-(2-formyl-3,4-dimethoxyphenyl)carbamate is sourced from PubChem (CID 88660508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).