5-[(3-cyanopyrrolidin-3-yl)-(3-cyclohexylpropanoyl)amino]-4-methylpent-3-enamide

C20H32N4O2 — CID 173234228

IUPAC5-[(3-cyanopyrrolidin-3-yl)-(3-cyclohexylpropanoyl)amino]-4-methylpent-3-enamide
SMILESCC(=CCC(N)=O)CN(C(=O)CCC1CCCCC1)C1(C#N)CCNC1
InChIInChI=1S/C20H32N4O2/c1-16(7-9-18(22)25)13-24(20(14-21)11-12-23-15-20)19(26)10-8-17-5-3-2-4-6-17/h7,17,23H,2-6,8-13,15H2,1H3,(H2,22,25)
InChIKeyPMJTYOJNCUFWJL-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.25
Rot. Bonds8

About 5-[(3-cyanopyrrolidin-3-yl)-(3-cyclohexylpropanoyl)amino]-4-methylpent-3-enamide

5-[(3-cyanopyrrolidin-3-yl)-(3-cyclohexylpropanoyl)amino]-4-methylpent-3-enamide (PubChem CID 173234228) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 5-[(3-cyanopyrrolidin-3-yl)-(3-cyclohexylpropanoyl)amino]-4-methylpent-3-enamide.

Molecular Properties

Compound Name5-[(3-cyanopyrrolidin-3-yl)-(3-cyclohexylpropanoyl)amino]-4-methylpent-3-enamide
PubChem CID173234228
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name5-[(3-cyanopyrrolidin-3-yl)-(3-cyclohexylpropanoyl)amino]-4-methylpent-3-enamide
SMILESCC(=CCC(N)=O)CN(C(=O)CCC1CCCCC1)C1(C#N)CCNC1
InChIInChI=1S/C20H32N4O2/c1-16(7-9-18(22)25)13-24(20(14-21)11-12-23-15-20)19(26)10-8-17-5-3-2-4-6-17/h7,17,23H,2-6,8-13,15H2,1H3,(H2,22,25)
InChIKeyPMJTYOJNCUFWJL-UHFFFAOYSA-N
XLogP2.25
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethyl)-N-(3-cyanopyrrolidin-3-yl)-3-cyclohexylpropanamide
CID 173234229
5-[3-cyano-3-(3-cyclohexylpropanoylamino)pyrrolidin-1-yl]-4-methylpent-3-enamide
CID 173167362
N'-(4-cyanopiperidin-4-yl)-N'-cyclohexyl-2,2-dimethylpentanediamide
CID 173253338
N'-benzyl-N'-(3-cyanopyrrolidin-3-yl)-2,2-dimethylpentanediamide
CID 173253443
3-cyclohexyl-N-[(3-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 114760734
N-[(3-cyanopyrrolidin-3-yl)-(3,3-dimethylbutyl)carbamoyl]-2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanamide
CID 70067679
N-(azetidin-3-yl)-3-cyclohexyl-N-methylpropanamide
CID 66185701
3-cyclohexylpropanamide;ethane;methanamine
CID 178116013
4-cyano-4-(3-cyclohexylpropanoylamino)-1-methylpiperidine-3-carboxamide
CID 22063209
N-(cyanomethyl)-3-cyclohexyl-N-propylpropanamide
CID 61224500
N-cyclohexyl-3-cyclopentyl-N-methylpropanamide
CID 86976959
3-cyclohexyl-1-(4-ethylpiperidin-4-yl)propan-1-one
CID 114193556

Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyanopyrrolidin-3-yl)-(3-cyclohexylpropanoyl)amino]-4-methylpent-3-enamide?
The IUPAC name of 5-[(3-cyanopyrrolidin-3-yl)-(3-cyclohexylpropanoyl)amino]-4-methylpent-3-enamide (CID 173234228) is 5-[(3-cyanopyrrolidin-3-yl)-(3-cyclohexylpropanoyl)amino]-4-methylpent-3-enamide.
What is the SMILES notation for 5-[(3-cyanopyrrolidin-3-yl)-(3-cyclohexylpropanoyl)amino]-4-methylpent-3-enamide?
The canonical SMILES for 5-[(3-cyanopyrrolidin-3-yl)-(3-cyclohexylpropanoyl)amino]-4-methylpent-3-enamide is CC(=CCC(N)=O)CN(C(=O)CCC1CCCCC1)C1(C#N)CCNC1.
What is the InChIKey of 5-[(3-cyanopyrrolidin-3-yl)-(3-cyclohexylpropanoyl)amino]-4-methylpent-3-enamide?
The InChIKey is PMJTYOJNCUFWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-16(7-9-18(22)25)13-24(20(14-21)11-12-23-15-20)19(26)10-8-17-5-3-2-4-6-17/h7,17,23H,2-6,8-13,15H2,1H3,(H2,22,25).
What are the key properties of 5-[(3-cyanopyrrolidin-3-yl)-(3-cyclohexylpropanoyl)amino]-4-methylpent-3-enamide?
5-[(3-cyanopyrrolidin-3-yl)-(3-cyclohexylpropanoyl)amino]-4-methylpent-3-enamide has a molecular weight of 360.50 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyanopyrrolidin-3-yl)-(3-cyclohexylpropanoyl)amino]-4-methylpent-3-enamide is sourced from PubChem (CID 173234228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).