1-(4-methylidenecyclohexanecarbonyl)-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide

C19H30N2O3 — CID 91127022

IUPAC1-(4-methylidenecyclohexanecarbonyl)-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESC=C1CCC(C(=O)N2CCCC2C(=O)NCC2CCOCC2)CC1
InChIInChI=1S/C19H30N2O3/c1-14-4-6-16(7-5-14)19(23)21-10-2-3-17(21)18(22)20-13-15-8-11-24-12-9-15/h15-17H,1-13H2,(H,20,22)
InChIKeyPYLGFAJTYIJSNZ-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.27
Rot. Bonds4

About 1-(4-methylidenecyclohexanecarbonyl)-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide

1-(4-methylidenecyclohexanecarbonyl)-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 91127022) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-(4-methylidenecyclohexanecarbonyl)-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-methylidenecyclohexanecarbonyl)-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID91127022
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name1-(4-methylidenecyclohexanecarbonyl)-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESC=C1CCC(C(=O)N2CCCC2C(=O)NCC2CCOCC2)CC1
InChIInChI=1S/C19H30N2O3/c1-14-4-6-16(7-5-14)19(23)21-10-2-3-17(21)18(22)20-13-15-8-11-24-12-9-15/h15-17H,1-13H2,(H,20,22)
InChIKeyPYLGFAJTYIJSNZ-UHFFFAOYSA-N
XLogP2.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(oxan-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 55227623
(2S)-1-(cyclohexanecarbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 94630274
1-(oxane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 43209805
(2S)-1-(cyclopropanecarbonyl)-N-(oxolan-3-yloxy)pyrrolidine-2-carboxamide
CID 154865192
(2R)-1-(cyclohexanecarbonyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 94167854
1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 62823489
1-(cyclopropanecarbonyl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide
CID 115700393
1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-2-carboxamide
CID 55900196
1-(cyclopropanecarbonyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
CID 115455332
1-(cyclopropanecarbonyl)-N-[3-(2-hydroxyethoxy)propyl]pyrrolidine-2-carboxamide
CID 106305764
7-(cyclobutanecarbonyl)-N-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-5-carboxamide
CID 131694410
3-[1-(oxan-4-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 63705736

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylidenecyclohexanecarbonyl)-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-methylidenecyclohexanecarbonyl)-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide (CID 91127022) is 1-(4-methylidenecyclohexanecarbonyl)-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-methylidenecyclohexanecarbonyl)-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-methylidenecyclohexanecarbonyl)-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide is C=C1CCC(C(=O)N2CCCC2C(=O)NCC2CCOCC2)CC1.
What is the InChIKey of 1-(4-methylidenecyclohexanecarbonyl)-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is PYLGFAJTYIJSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14-4-6-16(7-5-14)19(23)21-10-2-3-17(21)18(22)20-13-15-8-11-24-12-9-15/h15-17H,1-13H2,(H,20,22).
What are the key properties of 1-(4-methylidenecyclohexanecarbonyl)-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide?
1-(4-methylidenecyclohexanecarbonyl)-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylidenecyclohexanecarbonyl)-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 91127022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).