2-methoxyethyl N-[3-[3-(5-methylfuran-2-yl)prop-2-enoylamino]phenyl]carbamate

C18H20N2O5 — CID 76870592

IUPAC2-methoxyethyl N-[3-[3-(5-methylfuran-2-yl)prop-2-enoylamino]phenyl]carbamate
SMILESCOCCOC(=O)Nc1cccc(NC(=O)C=Cc2ccc(C)o2)c1
InChIInChI=1S/C18H20N2O5/c1-13-6-7-16(25-13)8-9-17(21)19-14-4-3-5-15(12-14)20-18(22)24-11-10-23-2/h3-9,12H,10-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDWSBFFTZGWFHHQ-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.43
Rot. Bonds7

About 2-methoxyethyl N-[3-[3-(5-methylfuran-2-yl)prop-2-enoylamino]phenyl]carbamate

2-methoxyethyl N-[3-[3-(5-methylfuran-2-yl)prop-2-enoylamino]phenyl]carbamate (PubChem CID 76870592) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-methoxyethyl N-[3-[3-(5-methylfuran-2-yl)prop-2-enoylamino]phenyl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-[3-[3-(5-methylfuran-2-yl)prop-2-enoylamino]phenyl]carbamate
PubChem CID76870592
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-methoxyethyl N-[3-[3-(5-methylfuran-2-yl)prop-2-enoylamino]phenyl]carbamate
SMILESCOCCOC(=O)Nc1cccc(NC(=O)C=Cc2ccc(C)o2)c1
InChIInChI=1S/C18H20N2O5/c1-13-6-7-16(25-13)8-9-17(21)19-14-4-3-5-15(12-14)20-18(22)24-11-10-23-2/h3-9,12H,10-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyDWSBFFTZGWFHHQ-UHFFFAOYSA-N
XLogP3.43
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-methoxyethyl N-[3-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]carbamate
CID 76870567
(E)-3-(5-methylfuran-2-yl)-N-[3-(phenylcarbamoylamino)phenyl]prop-2-enamide
CID 24632271
(E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 78783838
2-methoxyethyl N-[3-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]phenyl]carbamate
CID 47740999
2-methoxyethyl N-[3-[3-(2,4-dimethylphenyl)prop-2-enoylamino]phenyl]carbamate
CID 75269062
(E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide
CID 2665588
3-(5-methylfuran-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 875057
(E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfonylphenyl)prop-2-enamide
CID 27334787
(E)-3-(5-methylfuran-2-yl)-N-naphthalen-2-ylprop-2-enamide
CID 2146457
N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 71879499
(E)-N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75462529
(E)-3-(5-methylfuran-2-yl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26101754

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[3-[3-(5-methylfuran-2-yl)prop-2-enoylamino]phenyl]carbamate?
The IUPAC name of 2-methoxyethyl N-[3-[3-(5-methylfuran-2-yl)prop-2-enoylamino]phenyl]carbamate (CID 76870592) is 2-methoxyethyl N-[3-[3-(5-methylfuran-2-yl)prop-2-enoylamino]phenyl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-[3-[3-(5-methylfuran-2-yl)prop-2-enoylamino]phenyl]carbamate?
The canonical SMILES for 2-methoxyethyl N-[3-[3-(5-methylfuran-2-yl)prop-2-enoylamino]phenyl]carbamate is COCCOC(=O)Nc1cccc(NC(=O)C=Cc2ccc(C)o2)c1.
What is the InChIKey of 2-methoxyethyl N-[3-[3-(5-methylfuran-2-yl)prop-2-enoylamino]phenyl]carbamate?
The InChIKey is DWSBFFTZGWFHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-13-6-7-16(25-13)8-9-17(21)19-14-4-3-5-15(12-14)20-18(22)24-11-10-23-2/h3-9,12H,10-11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-methoxyethyl N-[3-[3-(5-methylfuran-2-yl)prop-2-enoylamino]phenyl]carbamate?
2-methoxyethyl N-[3-[3-(5-methylfuran-2-yl)prop-2-enoylamino]phenyl]carbamate has a molecular weight of 344.37 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-[3-[3-(5-methylfuran-2-yl)prop-2-enoylamino]phenyl]carbamate is sourced from PubChem (CID 76870592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).