(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide

C18H20N2O4 — CID 56810298

IUPAC(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
SMILESCc1ccc(CN(C)C(=O)/C=C/c2ccc(OCC(N)=O)cc2)o1
InChIInChI=1S/C18H20N2O4/c1-13-3-7-16(24-13)11-20(2)18(22)10-6-14-4-8-15(9-5-14)23-12-17(19)21/h3-10H,11-12H2,1-2H3,(H2,19,21)/b10-6+
InChIKeyBCRHNWNEYZQQIH-UXBLZVDNSA-N
MW328.37 g/mol
LogP2.12
Rot. Bonds7

About (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide

(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide (PubChem CID 56810298) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
PubChem CID56810298
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
SMILESCc1ccc(CN(C)C(=O)/C=C/c2ccc(OCC(N)=O)cc2)o1
InChIInChI=1S/C18H20N2O4/c1-13-3-7-16(24-13)11-20(2)18(22)10-6-14-4-8-15(9-5-14)23-12-17(19)21/h3-10H,11-12H2,1-2H3,(H2,19,21)/b10-6+
InChIKeyBCRHNWNEYZQQIH-UXBLZVDNSA-N
XLogP2.12
TPSA85.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide with MolForge

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Related Compounds

(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[(3-cyanophenyl)methyl]-N-methylprop-2-enamide
CID 56808077
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[(2R)-2-cyanopropyl]-N-methylprop-2-enamide
CID 94813862
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-ethyl-N-(furan-2-ylmethyl)prop-2-enamide
CID 56811678
3-(4-butoxy-3-methoxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 75981223
3-[4-chloro-3-(trifluoromethyl)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 75981221
3-(furan-2-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 102603432
(E)-3-(4-aminophenyl)-N-[(5-bromofuran-2-yl)methyl]-N-methylprop-2-enamide
CID 115343354
2-(4-fluorophenoxy)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78784494
(Z)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]prop-2-enamide
CID 98467942
(E)-N-benzyl-N-[(5-methylfuran-2-yl)methyl]-3-phenylprop-2-enamide
CID 42773296
2-[4-[(E)-3-(5-methylfuran-2-yl)-3-oxoprop-1-enyl]phenoxy]acetic acid
CID 24561750
[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 8575019

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide (CID 56810298) is (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide is Cc1ccc(CN(C)C(=O)/C=C/c2ccc(OCC(N)=O)cc2)o1.
What is the InChIKey of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide?
The InChIKey is BCRHNWNEYZQQIH-UXBLZVDNSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-13-3-7-16(24-13)11-20(2)18(22)10-6-14-4-8-15(9-5-14)23-12-17(19)21/h3-10H,11-12H2,1-2H3,(H2,19,21)/b10-6+.
What are the key properties of (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide?
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide has a molecular weight of 328.37 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 56810298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).