(E)-N-(4-ethoxyphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

C19H21NO3 — CID 43016428

IUPAC(E)-N-(4-ethoxyphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/c2ccc(C3CC3C)o2)cc1
InChIInChI=1S/C19H21NO3/c1-3-22-15-6-4-14(5-7-15)20-19(21)11-9-16-8-10-18(23-16)17-12-13(17)2/h4-11,13,17H,3,12H2,1-2H3,(H,20,21)/b11-9+
InChIKeyPWGJWIAYXFNYKP-PKNBQFBNSA-N
MW311.38 g/mol
LogP4.45
Rot. Bonds6

About (E)-N-(4-ethoxyphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide

(E)-N-(4-ethoxyphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (PubChem CID 43016428) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (E)-N-(4-ethoxyphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-ethoxyphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
PubChem CID43016428
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(E)-N-(4-ethoxyphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
SMILESCCOc1ccc(NC(=O)/C=C/c2ccc(C3CC3C)o2)cc1
InChIInChI=1S/C19H21NO3/c1-3-22-15-6-4-14(5-7-15)20-19(21)11-9-16-8-10-18(23-16)17-12-13(17)2/h4-11,13,17H,3,12H2,1-2H3,(H,20,21)/b11-9+
InChIKeyPWGJWIAYXFNYKP-PKNBQFBNSA-N
XLogP4.45
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.45
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

(E)-N-(6-methoxy-3-pyridinyl)-3-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 27009996
(E)-N-(1-ethyl-6-oxo-3-pyridinyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 75403812
(E)-N-[(2S)-butan-2-yl]-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 129419927
(E)-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 34444534
(E)-N-cyclohexyl-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 45352237
2-[3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enoylamino]oxyacetic acid
CID 77012974
(E)-N-(2,5-dimethylphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 18277233
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
(E)-3-(4-ethoxyphenyl)-N-(4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 38691544
(E)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 43237027
(E)-3-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enoate
CID 7131871

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-ethoxyphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-(4-ethoxyphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide (CID 43016428) is (E)-N-(4-ethoxyphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-(4-ethoxyphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-(4-ethoxyphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is CCOc1ccc(NC(=O)/C=C/c2ccc(C3CC3C)o2)cc1.
What is the InChIKey of (E)-N-(4-ethoxyphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
The InChIKey is PWGJWIAYXFNYKP-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-22-15-6-4-14(5-7-15)20-19(21)11-9-16-8-10-18(23-16)17-12-13(17)2/h4-11,13,17H,3,12H2,1-2H3,(H,20,21)/b11-9+.
What are the key properties of (E)-N-(4-ethoxyphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide?
(E)-N-(4-ethoxyphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide has a molecular weight of 311.38 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-ethoxyphenyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide is sourced from PubChem (CID 43016428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).