2-cyano-3-(furan-2-yl)-N-(4-hydroxy-2-methylpentyl)prop-2-enamide

C14H18N2O3 — CID 111447916

IUPAC2-cyano-3-(furan-2-yl)-N-(4-hydroxy-2-methylpentyl)prop-2-enamide
SMILESCC(O)CC(C)CNC(=O)C(C#N)=Cc1ccco1
InChIInChI=1S/C14H18N2O3/c1-10(6-11(2)17)9-16-14(18)12(8-15)7-13-4-3-5-19-13/h3-5,7,10-11,17H,6,9H2,1-2H3,(H,16,18)
InChIKeyISQCZMUXGXMULC-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.71
Rot. Bonds6

About 2-cyano-3-(furan-2-yl)-N-(4-hydroxy-2-methylpentyl)prop-2-enamide

2-cyano-3-(furan-2-yl)-N-(4-hydroxy-2-methylpentyl)prop-2-enamide (PubChem CID 111447916) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-cyano-3-(furan-2-yl)-N-(4-hydroxy-2-methylpentyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(furan-2-yl)-N-(4-hydroxy-2-methylpentyl)prop-2-enamide
PubChem CID111447916
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-cyano-3-(furan-2-yl)-N-(4-hydroxy-2-methylpentyl)prop-2-enamide
SMILESCC(O)CC(C)CNC(=O)C(C#N)=Cc1ccco1
InChIInChI=1S/C14H18N2O3/c1-10(6-11(2)17)9-16-14(18)12(8-15)7-13-4-3-5-19-13/h3-5,7,10-11,17H,6,9H2,1-2H3,(H,16,18)
InChIKeyISQCZMUXGXMULC-UHFFFAOYSA-N
XLogP1.71
TPSA86.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylpentyl)prop-2-enamide
CID 132969320
(Z)-2-cyano-3-(furan-2-yl)-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]prop-2-enamide
CID 95986991
(Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 40543296
(E)-2-cyano-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 787977
(E)-2-cyano-3-(furan-2-yl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 954076
methyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5467940
(E)-2-cyano-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 40527924
(E)-2-cyano-3-(furan-2-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide
CID 111520092
2-cyano-3-(furan-2-yl)-N-[6-[[3-(furan-2-yl)-2-isocyanoprop-2-enoyl]amino]hexyl]prop-2-enamide
CID 72660889
2-cyano-3-(furan-2-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2888047
2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(4-hydroxy-2-methylpentyl)prop-2-enamide
CID 111448054
ethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5337852

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(furan-2-yl)-N-(4-hydroxy-2-methylpentyl)prop-2-enamide?
The IUPAC name of 2-cyano-3-(furan-2-yl)-N-(4-hydroxy-2-methylpentyl)prop-2-enamide (CID 111447916) is 2-cyano-3-(furan-2-yl)-N-(4-hydroxy-2-methylpentyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-3-(furan-2-yl)-N-(4-hydroxy-2-methylpentyl)prop-2-enamide?
The canonical SMILES for 2-cyano-3-(furan-2-yl)-N-(4-hydroxy-2-methylpentyl)prop-2-enamide is CC(O)CC(C)CNC(=O)C(C#N)=Cc1ccco1.
What is the InChIKey of 2-cyano-3-(furan-2-yl)-N-(4-hydroxy-2-methylpentyl)prop-2-enamide?
The InChIKey is ISQCZMUXGXMULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(6-11(2)17)9-16-14(18)12(8-15)7-13-4-3-5-19-13/h3-5,7,10-11,17H,6,9H2,1-2H3,(H,16,18).
What are the key properties of 2-cyano-3-(furan-2-yl)-N-(4-hydroxy-2-methylpentyl)prop-2-enamide?
2-cyano-3-(furan-2-yl)-N-(4-hydroxy-2-methylpentyl)prop-2-enamide has a molecular weight of 262.31 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(furan-2-yl)-N-(4-hydroxy-2-methylpentyl)prop-2-enamide is sourced from PubChem (CID 111447916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).