(E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide

C13H19NO2 — CID 70870521

IUPAC(E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide
SMILESCCC(C)(C)N(C)C(=O)/C=C/c1ccco1
InChIInChI=1S/C13H19NO2/c1-5-13(2,3)14(4)12(15)9-8-11-7-6-10-16-11/h6-10H,5H2,1-4H3/b9-8+
InChIKeyUHOJMBXQMPGAFF-CMDGGOBGSA-N
MW221.30 g/mol
LogP2.94
Rot. Bonds4

About (E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide

(E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide (PubChem CID 70870521) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide
PubChem CID70870521
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide
SMILESCCC(C)(C)N(C)C(=O)/C=C/c1ccco1
InChIInChI=1S/C13H19NO2/c1-5-13(2,3)14(4)12(15)9-8-11-7-6-10-16-11/h6-10H,5H2,1-4H3/b9-8+
InChIKeyUHOJMBXQMPGAFF-CMDGGOBGSA-N
XLogP2.94
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
(E)-3-(furan-2-yl)-N,N-bis(2-methylpropyl)prop-2-enamide
CID 6000305
(E)-N,N-dibenzyl-3-(furan-2-yl)prop-2-enamide
CID 790450
(E)-3-(furan-2-yl)-N-[2-(N-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino)ethyl]-N-phenylprop-2-enamide
CID 6132853
(E)-3-(furan-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)prop-2-enamide
CID 103945656
triethylplumbyl 3-(furan-2-yl)prop-2-enoate
CID 53421031
3-(furan-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 102603432
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
CID 59090942
CID 59090942
(E)-N-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
CID 155996619
N-[2-(dimethylamino)-2-oxoethyl]-3-(furan-2-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 103597968
methyl 2-[[(E)-3-(furan-2-yl)prop-2-enoyl]-propylamino]acetate
CID 54941749

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide (CID 70870521) is (E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide is CCC(C)(C)N(C)C(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide?
The InChIKey is UHOJMBXQMPGAFF-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-13(2,3)14(4)12(15)9-8-11-7-6-10-16-11/h6-10H,5H2,1-4H3/b9-8+.
What are the key properties of (E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide has a molecular weight of 221.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-methyl-N-(2-methylbutan-2-yl)prop-2-enamide is sourced from PubChem (CID 70870521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).