(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide

C19H24N4O2 — CID 108857710

IUPAC(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C\NCCCN2CCCC2=O)c(C)c1
InChIInChI=1S/C19H24N4O2/c1-14-6-7-17(15(2)11-14)22-19(25)16(12-20)13-21-8-4-10-23-9-3-5-18(23)24/h6-7,11,13,21H,3-5,8-10H2,1-2H3,(H,22,25)/b16-13-
InChIKeyHOEHMNBVUAEUHK-SSZFMOIBSA-N
MW340.43 g/mol
LogP2.25
Rot. Bonds7

About (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide

(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide (PubChem CID 108857710) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide
PubChem CID108857710
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide
SMILESCc1ccc(NC(=O)/C(C#N)=C\NCCCN2CCCC2=O)c(C)c1
InChIInChI=1S/C19H24N4O2/c1-14-6-7-17(15(2)11-14)22-19(25)16(12-20)13-21-8-4-10-23-9-3-5-18(23)24/h6-7,11,13,21H,3-5,8-10H2,1-2H3,(H,22,25)/b16-13-
InChIKeyHOEHMNBVUAEUHK-SSZFMOIBSA-N
XLogP2.25
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.25
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'}

Analyze (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide with MolForge

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Related Compounds

4-[[(Z)-2-cyano-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enoyl]amino]benzenesulfonic acid
CID 108819031
(Z)-2-cyano-N-(2-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide
CID 108820895
(Z)-N-(4-bromophenyl)-2-cyano-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide
CID 108815688
ethyl 2-[[(Z)-2-cyano-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enoyl]amino]benzoate
CID 108826860
(Z)-2-cyano-3-(3-formamidopropylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 108815541
(Z)-2-cyano-3-(3-methoxypropylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 108815372
(Z)-2-cyano-N-cyclododecyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide
CID 108862510
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide
CID 108863256
(Z)-2-cyano-3-[3-(2-oxopyrrolidin-1-yl)propylamino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide
CID 108848022
(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-(2-hydroxypropylamino)prop-2-enamide
CID 108857865
(Z)-2-cyano-3-(3-morpholin-4-ylpropylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 108815450
ethyl 4-[[[(Z)-2-cyano-3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-1-enyl]amino]methyl]benzoate
CID 108815642

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide (CID 108857710) is (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide is Cc1ccc(NC(=O)/C(C#N)=C\NCCCN2CCCC2=O)c(C)c1.
What is the InChIKey of (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide?
The InChIKey is HOEHMNBVUAEUHK-SSZFMOIBSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-6-7-17(15(2)11-14)22-19(25)16(12-20)13-21-8-4-10-23-9-3-5-18(23)24/h6-7,11,13,21H,3-5,8-10H2,1-2H3,(H,22,25)/b16-13-.
What are the key properties of (Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide?
(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide has a molecular weight of 340.43 g/mol, XLogP of 2.25, 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-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide is sourced from PubChem (CID 108857710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).