(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(furan-2-ylmethyl)prop-2-enamide

C16H24N4O2 — CID 108863429

IUPAC(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(furan-2-ylmethyl)prop-2-enamide
SMILESCCN(CC)CCCN/C=C(/C#N)C(=O)NCc1ccco1
InChIInChI=1S/C16H24N4O2/c1-3-20(4-2)9-6-8-18-12-14(11-17)16(21)19-13-15-7-5-10-22-15/h5,7,10,12,18H,3-4,6,8-9,13H2,1-2H3,(H,19,21)/b14-12-
InChIKeyCCCFFIBJQWWLMG-OWBHPGMISA-N
MW304.39 g/mol
LogP1.62
Rot. Bonds10

About (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(furan-2-ylmethyl)prop-2-enamide

(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(furan-2-ylmethyl)prop-2-enamide (PubChem CID 108863429) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(furan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(furan-2-ylmethyl)prop-2-enamide
PubChem CID108863429
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(furan-2-ylmethyl)prop-2-enamide
SMILESCCN(CC)CCCN/C=C(/C#N)C(=O)NCc1ccco1
InChIInChI=1S/C16H24N4O2/c1-3-20(4-2)9-6-8-18-12-14(11-17)16(21)19-13-15-7-5-10-22-15/h5,7,10,12,18H,3-4,6,8-9,13H2,1-2H3,(H,19,21)/b14-12-
InChIKeyCCCFFIBJQWWLMG-OWBHPGMISA-N
XLogP1.62
TPSA81.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-N-(furan-2-ylmethyl)-3-(3-methylbutylamino)prop-2-enamide
CID 108863540
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-[2-(4-methoxyphenyl)ethylamino]prop-2-enamide
CID 108863313
(Z)-2-cyano-3-(dibutylamino)-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863428
(Z)-N-benzyl-2-cyano-3-[2-(diethylamino)ethylamino]prop-2-enamide
CID 108842235
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide
CID 108863256
(Z)-3-[bis(2-hydroxyethyl)amino]-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863327
(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(1-phenylethyl)prop-2-enamide
CID 108840055
4-[[(Z)-2-cyano-3-[3-(diethylamino)propylamino]prop-2-enoyl]amino]butanoic acid
CID 108845968
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(2,4,4-trimethylpentan-2-ylamino)prop-2-enamide
CID 108863444
(Z)-2-cyano-3-(furan-2-ylmethylamino)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 108840740
(Z)-2-cyano-3-(furan-2-ylmethylamino)-N-propan-2-ylprop-2-enamide
CID 108829588
6-[[(Z)-2-cyano-3-[3-(diethylamino)propylamino]prop-2-enoyl]amino]hexanoic acid
CID 108845222

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(furan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(furan-2-ylmethyl)prop-2-enamide (CID 108863429) is (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(furan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(furan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(furan-2-ylmethyl)prop-2-enamide is CCN(CC)CCCN/C=C(/C#N)C(=O)NCc1ccco1.
What is the InChIKey of (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(furan-2-ylmethyl)prop-2-enamide?
The InChIKey is CCCFFIBJQWWLMG-OWBHPGMISA-N. The full InChI is InChI=1S/C16H24N4O2/c1-3-20(4-2)9-6-8-18-12-14(11-17)16(21)19-13-15-7-5-10-22-15/h5,7,10,12,18H,3-4,6,8-9,13H2,1-2H3,(H,19,21)/b14-12-.
What are the key properties of (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(furan-2-ylmethyl)prop-2-enamide?
(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(furan-2-ylmethyl)prop-2-enamide has a molecular weight of 304.39 g/mol, XLogP of 1.62, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(furan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 108863429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).