(Z)-2-cyano-3-[3-(2-oxopyrrolidin-1-yl)propylamino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide

C24H32N4O2 — CID 108848022

IUPAC(Z)-2-cyano-3-[3-(2-oxopyrrolidin-1-yl)propylamino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide
SMILESCCC(NC(=O)/C(C#N)=C\NCCCN1CCCC1=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C24H32N4O2/c1-2-22(20-11-10-18-7-3-4-8-19(18)15-20)27-24(30)21(16-25)17-26-12-6-14-28-13-5-9-23(28)29/h10-11,15,17,22,26H,2-9,12-14H2,1H3,(H,27,30)/b21-17-
InChIKeyHQFLASMNZQXNMC-FXBPSFAMSA-N
MW408.55 g/mol
LogP3.14
Rot. Bonds9

About (Z)-2-cyano-3-[3-(2-oxopyrrolidin-1-yl)propylamino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide

(Z)-2-cyano-3-[3-(2-oxopyrrolidin-1-yl)propylamino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide (PubChem CID 108848022) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is (Z)-2-cyano-3-[3-(2-oxopyrrolidin-1-yl)propylamino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[3-(2-oxopyrrolidin-1-yl)propylamino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide
PubChem CID108848022
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name(Z)-2-cyano-3-[3-(2-oxopyrrolidin-1-yl)propylamino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide
SMILESCCC(NC(=O)/C(C#N)=C\NCCCN1CCCC1=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C24H32N4O2/c1-2-22(20-11-10-18-7-3-4-8-19(18)15-20)27-24(30)21(16-25)17-26-12-6-14-28-13-5-9-23(28)29/h10-11,15,17,22,26H,2-9,12-14H2,1H3,(H,27,30)/b21-17-
InChIKeyHQFLASMNZQXNMC-FXBPSFAMSA-N
XLogP3.14
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.14
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-3-[3-(2-oxopyrrolidin-1-yl)propylamino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-3-(butylamino)-2-cyano-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide
CID 108848071
(Z)-2-cyano-3-(1-hydroxybutan-2-ylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide
CID 108848222
(Z)-3-(3-bromoanilino)-2-cyano-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide
CID 108848256
(Z)-2-cyano-3-(propylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 108848781
dimethyl 2-[[(Z)-2-cyano-3-oxo-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propylamino]prop-1-enyl]amino]benzene-1,4-dicarboxylate
CID 108848204
(Z)-2-cyano-3-(3,4-diethoxyanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide
CID 108848165
(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide
CID 108857710
(Z)-N-(4-bromophenyl)-2-cyano-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide
CID 108815688
(Z)-3-(5-chloro-2-methoxyanilino)-2-cyano-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide
CID 108848055
ethyl 4-[[(Z)-2-cyano-3-oxo-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propylamino]prop-1-enyl]amino]piperidine-1-carboxylate
CID 108848294
methyl 2-[[(Z)-2-cyano-3-oxo-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propylamino]prop-1-enyl]amino]benzoate
CID 108848119
methyl 4-[(Z)-2-cyano-3-oxo-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propylamino]prop-1-enyl]piperazine-1-carboxylate
CID 108848387

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[3-(2-oxopyrrolidin-1-yl)propylamino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide?
The IUPAC name of (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) is (Z)-2-cyano-3-[3-(2-oxopyrrolidin-1-yl)propylamino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[3-(2-oxopyrrolidin-1-yl)propylamino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[3-(2-oxopyrrolidin-1-yl)propylamino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide is CCC(NC(=O)/C(C#N)=C\NCCCN1CCCC1=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of (Z)-2-cyano-3-[3-(2-oxopyrrolidin-1-yl)propylamino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide?
The InChIKey is HQFLASMNZQXNMC-FXBPSFAMSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-2-22(20-11-10-18-7-3-4-8-19(18)15-20)27-24(30)21(16-25)17-26-12-6-14-28-13-5-9-23(28)29/h10-11,15,17,22,26H,2-9,12-14H2,1H3,(H,27,30)/b21-17-.
What are the key properties of (Z)-2-cyano-3-[3-(2-oxopyrrolidin-1-yl)propylamino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide?
(Z)-2-cyano-3-[3-(2-oxopyrrolidin-1-yl)propylamino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide has a molecular weight of 408.55 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[3-(2-oxopyrrolidin-1-yl)propylamino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide is sourced from PubChem (CID 108848022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).