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

C23H38N4O2 — CID 108862510

IUPAC(Z)-2-cyano-N-cyclododecyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide
SMILESN#C/C(=C/NCCCN1CCCC1=O)C(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C23H38N4O2/c24-18-20(19-25-15-11-17-27-16-10-14-22(27)28)23(29)26-21-12-8-6-4-2-1-3-5-7-9-13-21/h19,21,25H,1-17H2,(H,26,29)/b20-19-
InChIKeyUEANIAWFEDBTKB-VXPUYCOJSA-N
MW402.58 g/mol
LogP3.79
Rot. Bonds7

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

(Z)-2-cyano-N-cyclododecyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide (PubChem CID 108862510) has the molecular formula C23H38N4O2 and a molecular weight of 402.58 g/mol. Its IUPAC name is (Z)-2-cyano-N-cyclododecyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-cyclododecyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide
PubChem CID108862510
Molecular FormulaC23H38N4O2
Molecular Weight402.58 g/mol
Exact Mass402.30
IUPAC Name(Z)-2-cyano-N-cyclododecyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide
SMILESN#C/C(=C/NCCCN1CCCC1=O)C(=O)NC1CCCCCCCCCCC1
InChIInChI=1S/C23H38N4O2/c24-18-20(19-25-15-11-17-27-16-10-14-22(27)28)23(29)26-21-12-8-6-4-2-1-3-5-7-9-13-21/h19,21,25H,1-17H2,(H,26,29)/b20-19-
InChIKeyUEANIAWFEDBTKB-VXPUYCOJSA-N
XLogP3.79
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 53.79
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-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)-N-(4-bromophenyl)-2-cyano-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide
CID 108815688
(Z)-3-(3-chloropropylamino)-2-cyano-N-cyclopentylprop-2-enamide
CID 108835499
(Z)-2-cyano-3-(3-morpholin-4-ylpropylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 108815450
4-[[(Z)-2-cyano-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enoyl]amino]benzenesulfonic acid
CID 108819031
(Z)-2-cyano-N-cyclohexyl-3-(5-hydroxypentylamino)prop-2-enamide
CID 108831514
(Z)-2-cyano-N-cyclopentyl-3-(3-formamidopropylamino)prop-2-enamide
CID 108835621
(Z)-3-(2-chloroethylamino)-2-cyano-N-cyclohexylprop-2-enamide
CID 108831425
(Z)-2-cyano-N-(2,4-dimethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide
CID 108857710
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide
CID 108863256
(Z)-2-cyano-N-(2-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide
CID 108820895

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-cyclododecyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-cyclododecyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide (CID 108862510) is (Z)-2-cyano-N-cyclododecyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-cyclododecyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-cyclododecyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide is N#C/C(=C/NCCCN1CCCC1=O)C(=O)NC1CCCCCCCCCCC1.
What is the InChIKey of (Z)-2-cyano-N-cyclododecyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide?
The InChIKey is UEANIAWFEDBTKB-VXPUYCOJSA-N. The full InChI is InChI=1S/C23H38N4O2/c24-18-20(19-25-15-11-17-27-16-10-14-22(27)28)23(29)26-21-12-8-6-4-2-1-3-5-7-9-13-21/h19,21,25H,1-17H2,(H,26,29)/b20-19-.
What are the key properties of (Z)-2-cyano-N-cyclododecyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide?
(Z)-2-cyano-N-cyclododecyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide has a molecular weight of 402.58 g/mol, XLogP of 3.79, 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-cyclododecyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]prop-2-enamide is sourced from PubChem (CID 108862510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).