(E)-3-(5-methylfuran-2-yl)-N-(2-methyl-4-propoxyphenyl)prop-2-enamide

C18H21NO3 — CID 60540583

IUPAC(E)-3-(5-methylfuran-2-yl)-N-(2-methyl-4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(NC(=O)/C=C/c2ccc(C)o2)c(C)c1
InChIInChI=1S/C18H21NO3/c1-4-11-21-16-7-9-17(13(2)12-16)19-18(20)10-8-15-6-5-14(3)22-15/h5-10,12H,4,11H2,1-3H3,(H,19,20)/b10-8+
InChIKeyXQMZCEKUQWMFGZ-CSKARUKUSA-N
MW299.37 g/mol
LogP4.34
Rot. Bonds6

About (E)-3-(5-methylfuran-2-yl)-N-(2-methyl-4-propoxyphenyl)prop-2-enamide

(E)-3-(5-methylfuran-2-yl)-N-(2-methyl-4-propoxyphenyl)prop-2-enamide (PubChem CID 60540583) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (E)-3-(5-methylfuran-2-yl)-N-(2-methyl-4-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methylfuran-2-yl)-N-(2-methyl-4-propoxyphenyl)prop-2-enamide
PubChem CID60540583
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(E)-3-(5-methylfuran-2-yl)-N-(2-methyl-4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(NC(=O)/C=C/c2ccc(C)o2)c(C)c1
InChIInChI=1S/C18H21NO3/c1-4-11-21-16-7-9-17(13(2)12-16)19-18(20)10-8-15-6-5-14(3)22-15/h5-10,12H,4,11H2,1-3H3,(H,19,20)/b10-8+
InChIKeyXQMZCEKUQWMFGZ-CSKARUKUSA-N
XLogP4.34
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-4-propoxyphenyl)carbamic acid
CID 118108315
N-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75618524
3-(5-methylfuran-2-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 2933195
(E)-3-(5-methylfuran-2-yl)-N-[2-[[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 1291262
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(2-methyl-4-propoxyphenyl)prop-2-enamide
CID 60540737
N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712960
(E)-N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712961
2-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-methylphenoxy]acetic acid
CID 17362080
N-(4-bromo-2-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 887928
(E)-N-(2-bromo-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 47249112
1-(2-hydroxyethyl)-3-(2-methyl-4-propoxyphenyl)urea
CID 47326596
(E)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 17493911

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-(2-methyl-4-propoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-methylfuran-2-yl)-N-(2-methyl-4-propoxyphenyl)prop-2-enamide (CID 60540583) is (E)-3-(5-methylfuran-2-yl)-N-(2-methyl-4-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methylfuran-2-yl)-N-(2-methyl-4-propoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-methylfuran-2-yl)-N-(2-methyl-4-propoxyphenyl)prop-2-enamide is CCCOc1ccc(NC(=O)/C=C/c2ccc(C)o2)c(C)c1.
What is the InChIKey of (E)-3-(5-methylfuran-2-yl)-N-(2-methyl-4-propoxyphenyl)prop-2-enamide?
The InChIKey is XQMZCEKUQWMFGZ-CSKARUKUSA-N. The full InChI is InChI=1S/C18H21NO3/c1-4-11-21-16-7-9-17(13(2)12-16)19-18(20)10-8-15-6-5-14(3)22-15/h5-10,12H,4,11H2,1-3H3,(H,19,20)/b10-8+.
What are the key properties of (E)-3-(5-methylfuran-2-yl)-N-(2-methyl-4-propoxyphenyl)prop-2-enamide?
(E)-3-(5-methylfuran-2-yl)-N-(2-methyl-4-propoxyphenyl)prop-2-enamide has a molecular weight of 299.37 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylfuran-2-yl)-N-(2-methyl-4-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 60540583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).