(2R)-2-(cyclohexylmethyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-1-carboxamide

C17H30N2O3 — CID 99787980

IUPAC(2R)-2-(cyclohexylmethyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NC[C@H]1COCCO1)N1CCC[C@@H]1CC1CCCCC1
InChIInChI=1S/C17H30N2O3/c20-17(18-12-16-13-21-9-10-22-16)19-8-4-7-15(19)11-14-5-2-1-3-6-14/h14-16H,1-13H2,(H,18,20)/t15-,16+/m1/s1
InChIKeyPMPFYBCJUCKODF-CVEARBPZSA-N
MW310.44 g/mol
LogP2.55
Rot. Bonds4

About (2R)-2-(cyclohexylmethyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-1-carboxamide

(2R)-2-(cyclohexylmethyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 99787980) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is (2R)-2-(cyclohexylmethyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(cyclohexylmethyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID99787980
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name(2R)-2-(cyclohexylmethyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NC[C@H]1COCCO1)N1CCC[C@@H]1CC1CCCCC1
InChIInChI=1S/C17H30N2O3/c20-17(18-12-16-13-21-9-10-22-16)19-8-4-7-15(19)11-14-5-2-1-3-6-14/h14-16H,1-13H2,(H,18,20)/t15-,16+/m1/s1
InChIKeyPMPFYBCJUCKODF-CVEARBPZSA-N
XLogP2.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(cyclohexylmethyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

2-cyclohexyl-N-(1,4-dioxan-2-ylmethyl)pyrrolidine-1-carboxamide
CID 71938909
3-[1-(1,4-dioxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62216383
2-(cyclohexylmethyl)-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 71881607
(2S)-1-(cyclohexanecarbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 94630274
N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 71938899
(2S)-2-(cyclohexylmethyl)-N-cyclopropylpyrrolidine-1-carboxamide
CID 94744585
(2R)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(4-methoxyphenyl)azepane-1-carboxamide
CID 94663416
1-(1,4-dioxan-2-ylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102781928
tert-butyl 2-[(1,4-dioxan-2-ylmethylcarbamoylamino)methyl]piperidine-1-carboxylate
CID 71936823
3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62209945
N-[[1-(2-amino-2-oxoethyl)cyclohexyl]methyl]-2-(cyclobutylmethyl)piperidine-1-carboxamide
CID 154787814
(2R)-1-(adamantane-1-carbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 94630193

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclohexylmethyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(cyclohexylmethyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-1-carboxamide (CID 99787980) is (2R)-2-(cyclohexylmethyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(cyclohexylmethyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(cyclohexylmethyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-1-carboxamide is O=C(NC[C@H]1COCCO1)N1CCC[C@@H]1CC1CCCCC1.
What is the InChIKey of (2R)-2-(cyclohexylmethyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is PMPFYBCJUCKODF-CVEARBPZSA-N. The full InChI is InChI=1S/C17H30N2O3/c20-17(18-12-16-13-21-9-10-22-16)19-8-4-7-15(19)11-14-5-2-1-3-6-14/h14-16H,1-13H2,(H,18,20)/t15-,16+/m1/s1.
What are the key properties of (2R)-2-(cyclohexylmethyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-1-carboxamide?
(2R)-2-(cyclohexylmethyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclohexylmethyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 99787980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).