(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylbutylamino)prop-2-enamide

C14H19N3O2 — CID 108863540

IUPAC(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylbutylamino)prop-2-enamide
SMILESCC(C)CCN/C=C(/C#N)C(=O)NCc1ccco1
InChIInChI=1S/C14H19N3O2/c1-11(2)5-6-16-9-12(8-15)14(18)17-10-13-4-3-7-19-13/h3-4,7,9,11,16H,5-6,10H2,1-2H3,(H,17,18)/b12-9-
InChIKeyHZCSPEHQASNEQS-XFXZXTDPSA-N
MW261.32 g/mol
LogP1.94
Rot. Bonds7

About (Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylbutylamino)prop-2-enamide

(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylbutylamino)prop-2-enamide (PubChem CID 108863540) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylbutylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylbutylamino)prop-2-enamide
PubChem CID108863540
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylbutylamino)prop-2-enamide
SMILESCC(C)CCN/C=C(/C#N)C(=O)NCc1ccco1
InChIInChI=1S/C14H19N3O2/c1-11(2)5-6-16-9-12(8-15)14(18)17-10-13-4-3-7-19-13/h3-4,7,9,11,16H,5-6,10H2,1-2H3,(H,17,18)/b12-9-
InChIKeyHZCSPEHQASNEQS-XFXZXTDPSA-N
XLogP1.94
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-3-[3-(diethylamino)propylamino]-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863429
(Z)-2-cyano-3-(furan-2-ylmethylamino)-N-propan-2-ylprop-2-enamide
CID 108829588
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-[2-(4-methoxyphenyl)ethylamino]prop-2-enamide
CID 108863313
2-[[(Z)-2-cyano-3-(furan-2-ylmethylamino)prop-2-enoyl]amino]-4-methylpentanoic acid
CID 108846286
2-cyano-N-(furan-2-ylmethyl)-3-[4-(3-methylbutoxy)phenyl]prop-2-enamide
CID 4809578
(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-N-(furan-2-ylmethyl)-3-(4-methoxyanilino)prop-2-enamide
CID 108863285
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylanilino)prop-2-enamide
CID 108863363
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide
CID 108863256
(Z)-3-(3-bromoanilino)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863478
(Z)-2-cyano-3-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863279

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylbutylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylbutylamino)prop-2-enamide (CID 108863540) is (Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylbutylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylbutylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylbutylamino)prop-2-enamide is CC(C)CCN/C=C(/C#N)C(=O)NCc1ccco1.
What is the InChIKey of (Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylbutylamino)prop-2-enamide?
The InChIKey is HZCSPEHQASNEQS-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(2)5-6-16-9-12(8-15)14(18)17-10-13-4-3-7-19-13/h3-4,7,9,11,16H,5-6,10H2,1-2H3,(H,17,18)/b12-9-.
What are the key properties of (Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylbutylamino)prop-2-enamide?
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylbutylamino)prop-2-enamide has a molecular weight of 261.32 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylbutylamino)prop-2-enamide is sourced from PubChem (CID 108863540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).