2-cyclohexyl-N-(1,4-dioxan-2-ylmethyl)pyrrolidine-1-carboxamide

C16H28N2O3 — CID 71938909

IUPAC2-cyclohexyl-N-(1,4-dioxan-2-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCC1COCCO1)N1CCCC1C1CCCCC1
InChIInChI=1S/C16H28N2O3/c19-16(17-11-14-12-20-9-10-21-14)18-8-4-7-15(18)13-5-2-1-3-6-13/h13-15H,1-12H2,(H,17,19)
InChIKeyWWOUJQNOLJECBB-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.16
Rot. Bonds3

About 2-cyclohexyl-N-(1,4-dioxan-2-ylmethyl)pyrrolidine-1-carboxamide

2-cyclohexyl-N-(1,4-dioxan-2-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 71938909) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-cyclohexyl-N-(1,4-dioxan-2-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(1,4-dioxan-2-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID71938909
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-cyclohexyl-N-(1,4-dioxan-2-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCC1COCCO1)N1CCCC1C1CCCCC1
InChIInChI=1S/C16H28N2O3/c19-16(17-11-14-12-20-9-10-21-14)18-8-4-7-15(18)13-5-2-1-3-6-13/h13-15H,1-12H2,(H,17,19)
InChIKeyWWOUJQNOLJECBB-UHFFFAOYSA-N
XLogP2.16
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(cyclohexylmethyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-1-carboxamide
CID 99787980
3-[1-(1,4-dioxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62216383
N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 71938899
(2S)-1-(cyclohexanecarbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 94630274
(2R)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94663416
N-[2-(oxolan-2-yl)ethyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 71990584
1-(1,4-dioxan-2-ylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102781928
(2R)-1-(adamantane-1-carbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 94630193
(3aR,7aR)-N-[[(2R,3R)-2-tert-butyloxan-3-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 124857687
(2R)-2-cyclohexyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97314346
(2R)-2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide
CID 97310729
2-[[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]acetyl]amino]acetic acid
CID 102727447

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(1,4-dioxan-2-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-cyclohexyl-N-(1,4-dioxan-2-ylmethyl)pyrrolidine-1-carboxamide (CID 71938909) is 2-cyclohexyl-N-(1,4-dioxan-2-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-(1,4-dioxan-2-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-(1,4-dioxan-2-ylmethyl)pyrrolidine-1-carboxamide is O=C(NCC1COCCO1)N1CCCC1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-(1,4-dioxan-2-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is WWOUJQNOLJECBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c19-16(17-11-14-12-20-9-10-21-14)18-8-4-7-15(18)13-5-2-1-3-6-13/h13-15H,1-12H2,(H,17,19).
What are the key properties of 2-cyclohexyl-N-(1,4-dioxan-2-ylmethyl)pyrrolidine-1-carboxamide?
2-cyclohexyl-N-(1,4-dioxan-2-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(1,4-dioxan-2-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71938909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).