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

C19H18N2O2 — CID 94642688

IUPAC(E)-3-(4-cyanophenyl)-N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide
SMILESC[C@H](c1ccco1)N(C(=O)/C=C/c1ccc(C#N)cc1)C1CC1
InChIInChI=1S/C19H18N2O2/c1-14(18-3-2-12-23-18)21(17-9-10-17)19(22)11-8-15-4-6-16(13-20)7-5-15/h2-8,11-12,14,17H,9-10H2,1H3/b11-8+/t14-/m1/s1
InChIKeyVHARHGCVSZETKZ-BMGYJQCNSA-N
MW306.37 g/mol
LogP3.92
Rot. Bonds5

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

(E)-3-(4-cyanophenyl)-N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide (PubChem CID 94642688) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (E)-3-(4-cyanophenyl)-N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-cyanophenyl)-N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide
PubChem CID94642688
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(E)-3-(4-cyanophenyl)-N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide
SMILESC[C@H](c1ccco1)N(C(=O)/C=C/c1ccc(C#N)cc1)C1CC1
InChIInChI=1S/C19H18N2O2/c1-14(18-3-2-12-23-18)21(17-9-10-17)19(22)11-8-15-4-6-16(13-20)7-5-15/h2-8,11-12,14,17H,9-10H2,1H3/b11-8+/t14-/m1/s1
InChIKeyVHARHGCVSZETKZ-BMGYJQCNSA-N
XLogP3.92
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.92
H-Bond Donors ≤ 50
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-cyclopropyl-N-[1-(furan-2-yl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 60576849
(E)-N-cyclopropyl-3-(2,4-dimethoxyphenyl)-N-[1-(furan-2-yl)ethyl]prop-2-enamide
CID 60576725
2-cyclopentyl-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 60576605
3-(4-cyanophenyl)-1-[1-(furan-2-yl)ethyl]-1-methylurea
CID 87013122
N-cyclopropyl-3-(furan-2-yl)-N-(3-methylpentan-2-yl)prop-2-enamide
CID 72687598
(E)-3-(4-cyanophenyl)-N-(2-hydroxyethyl)-N-propan-2-ylprop-2-enamide
CID 43573291
1-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[1-(furan-2-yl)ethyl]urea
CID 71972779
1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-[(3R)-hex-5-yn-3-yl]urea
CID 97048807
4-[(E)-3-oxobut-1-enyl]benzonitrile
CID 11126721
N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 75417029
3-[(1R)-cyclohex-3-en-1-yl]-1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]urea
CID 97048743
propan-2-yl 3-(4-cyanophenyl)prop-2-enoate
CID 112722924

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-cyanophenyl)-N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-cyanophenyl)-N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide (CID 94642688) is (E)-3-(4-cyanophenyl)-N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-cyanophenyl)-N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-cyanophenyl)-N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide is C[C@H](c1ccco1)N(C(=O)/C=C/c1ccc(C#N)cc1)C1CC1.
What is the InChIKey of (E)-3-(4-cyanophenyl)-N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide?
The InChIKey is VHARHGCVSZETKZ-BMGYJQCNSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-14(18-3-2-12-23-18)21(17-9-10-17)19(22)11-8-15-4-6-16(13-20)7-5-15/h2-8,11-12,14,17H,9-10H2,1H3/b11-8+/t14-/m1/s1.
What are the key properties of (E)-3-(4-cyanophenyl)-N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide?
(E)-3-(4-cyanophenyl)-N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide has a molecular weight of 306.37 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-cyanophenyl)-N-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 94642688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).