(E)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)-N-[1-(furan-2-yl)ethyl]prop-2-enamide

C20H23NO4 — CID 60576725

IUPAC(E)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)-N-[1-(furan-2-yl)ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N(C2CC2)C(C)c2ccco2)c(OC)c1
InChIInChI=1S/C20H23NO4/c1-14(18-5-4-12-25-18)21(16-8-9-16)20(22)11-7-15-6-10-17(23-2)13-19(15)24-3/h4-7,10-14,16H,8-9H2,1-3H3/b11-7+
InChIKeyAULGUAPPBKSJKE-YRNVUSSQSA-N
MW341.41 g/mol
LogP4.06
Rot. Bonds7

About (E)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)-N-[1-(furan-2-yl)ethyl]prop-2-enamide

(E)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)-N-[1-(furan-2-yl)ethyl]prop-2-enamide (PubChem CID 60576725) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)-N-[1-(furan-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)-N-[1-(furan-2-yl)ethyl]prop-2-enamide
PubChem CID60576725
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(E)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)-N-[1-(furan-2-yl)ethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N(C2CC2)C(C)c2ccco2)c(OC)c1
InChIInChI=1S/C20H23NO4/c1-14(18-5-4-12-25-18)21(16-8-9-16)20(22)11-7-15-6-10-17(23-2)13-19(15)24-3/h4-7,10-14,16H,8-9H2,1-3H3/b11-7+
InChIKeyAULGUAPPBKSJKE-YRNVUSSQSA-N
XLogP4.06
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 60576849
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-cyclopropyl-N-(1-pyridin-2-ylethyl)prop-2-enamide
CID 55812236
N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-4-methoxy-3-nitrobenzamide
CID 60576427
(E)-N,N-bis(2-chloroethyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 11012991
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 8515503
3-(2,4-dimethoxyphenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 72689490
(E)-N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(2,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 9406199
(E)-4-(2,4-dimethoxyphenyl)-2-oxobut-3-enoic acid
CID 82159207
N-butan-2-yl-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 3598582
N-cyclopropyl-3-(furan-2-yl)-N-(3-methylpentan-2-yl)prop-2-enamide
CID 72687598
3-(2,4-dimethoxyphenyl)-N-(oxan-2-ylmethyl)-N-propylprop-2-enamide
CID 72688480

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)-N-[1-(furan-2-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)-N-[1-(furan-2-yl)ethyl]prop-2-enamide (CID 60576725) is (E)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)-N-[1-(furan-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)-N-[1-(furan-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)-N-[1-(furan-2-yl)ethyl]prop-2-enamide is COc1ccc(/C=C/C(=O)N(C2CC2)C(C)c2ccco2)c(OC)c1.
What is the InChIKey of (E)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)-N-[1-(furan-2-yl)ethyl]prop-2-enamide?
The InChIKey is AULGUAPPBKSJKE-YRNVUSSQSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14(18-5-4-12-25-18)21(16-8-9-16)20(22)11-7-15-6-10-17(23-2)13-19(15)24-3/h4-7,10-14,16H,8-9H2,1-3H3/b11-7+.
What are the key properties of (E)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)-N-[1-(furan-2-yl)ethyl]prop-2-enamide?
(E)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)-N-[1-(furan-2-yl)ethyl]prop-2-enamide has a molecular weight of 341.41 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)-N-[1-(furan-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 60576725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).