(E)-N-(1-cyanocyclobutyl)-3-(2-methoxyphenyl)-N-methylprop-2-enamide

C16H18N2O2 — CID 47445751

IUPAC(E)-N-(1-cyanocyclobutyl)-3-(2-methoxyphenyl)-N-methylprop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)N(C)C1(C#N)CCC1
InChIInChI=1S/C16H18N2O2/c1-18(16(12-17)10-5-11-16)15(19)9-8-13-6-3-4-7-14(13)20-2/h3-4,6-9H,5,10-11H2,1-2H3/b9-8+
InChIKeyMGTWPNWSTYFVMV-CMDGGOBGSA-N
MW270.33 g/mol
LogP2.61
Rot. Bonds4

About (E)-N-(1-cyanocyclobutyl)-3-(2-methoxyphenyl)-N-methylprop-2-enamide

(E)-N-(1-cyanocyclobutyl)-3-(2-methoxyphenyl)-N-methylprop-2-enamide (PubChem CID 47445751) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (E)-N-(1-cyanocyclobutyl)-3-(2-methoxyphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-cyanocyclobutyl)-3-(2-methoxyphenyl)-N-methylprop-2-enamide
PubChem CID47445751
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(E)-N-(1-cyanocyclobutyl)-3-(2-methoxyphenyl)-N-methylprop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)N(C)C1(C#N)CCC1
InChIInChI=1S/C16H18N2O2/c1-18(16(12-17)10-5-11-16)15(19)9-8-13-6-3-4-7-14(13)20-2/h3-4,6-9H,5,10-11H2,1-2H3/b9-8+
InChIKeyMGTWPNWSTYFVMV-CMDGGOBGSA-N
XLogP2.61
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 7850961
(Z)-1,1,1-trifluoro-4-(2-methoxyphenyl)but-3-en-2-one
CID 23274353
3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 2929140
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
1-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]cyclohexane-1-carboxylic acid
CID 45427653
1-(azepan-1-yl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 4506724
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
(E)-1-(2-methoxy-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
CID 24561832
2-[3-(2-methoxyphenyl)prop-2-enoylamino]acetyl chloride
CID 57046657
N-[1-(hydroxymethyl)cyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 76945995
tert-butyl 3-(2-methoxyphenyl)prop-2-enoate
CID 72952089
(1E,6E)-5-hydroxy-1,7-bis(2-methoxyphenyl)hepta-1,4,6-trien-3-one
CID 153275178

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-cyanocyclobutyl)-3-(2-methoxyphenyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-N-(1-cyanocyclobutyl)-3-(2-methoxyphenyl)-N-methylprop-2-enamide (CID 47445751) is (E)-N-(1-cyanocyclobutyl)-3-(2-methoxyphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-(1-cyanocyclobutyl)-3-(2-methoxyphenyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-(1-cyanocyclobutyl)-3-(2-methoxyphenyl)-N-methylprop-2-enamide is COc1ccccc1/C=C/C(=O)N(C)C1(C#N)CCC1.
What is the InChIKey of (E)-N-(1-cyanocyclobutyl)-3-(2-methoxyphenyl)-N-methylprop-2-enamide?
The InChIKey is MGTWPNWSTYFVMV-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-18(16(12-17)10-5-11-16)15(19)9-8-13-6-3-4-7-14(13)20-2/h3-4,6-9H,5,10-11H2,1-2H3/b9-8+.
What are the key properties of (E)-N-(1-cyanocyclobutyl)-3-(2-methoxyphenyl)-N-methylprop-2-enamide?
(E)-N-(1-cyanocyclobutyl)-3-(2-methoxyphenyl)-N-methylprop-2-enamide has a molecular weight of 270.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-cyanocyclobutyl)-3-(2-methoxyphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 47445751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).