(2S)-N-(2-cyclohexylethyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide

C19H34N2O2 — CID 70876379

IUPAC(2S)-N-(2-cyclohexylethyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCC1CCCCC1)[C@@H]1CCCN1CC1CCOCC1
InChIInChI=1S/C19H34N2O2/c22-19(20-11-8-16-5-2-1-3-6-16)18-7-4-12-21(18)15-17-9-13-23-14-10-17/h16-18H,1-15H2,(H,20,22)/t18-/m0/s1
InChIKeyRWWMOCJELVEQQL-SFHVURJKSA-N
MW322.49 g/mol
LogP2.96
Rot. Bonds6

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

(2S)-N-(2-cyclohexylethyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 70876379) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is (2S)-N-(2-cyclohexylethyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-cyclohexylethyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID70876379
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name(2S)-N-(2-cyclohexylethyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCC1CCCCC1)[C@@H]1CCCN1CC1CCOCC1
InChIInChI=1S/C19H34N2O2/c22-19(20-11-8-16-5-2-1-3-6-16)18-7-4-12-21(18)15-17-9-13-23-14-10-17/h16-18H,1-15H2,(H,20,22)/t18-/m0/s1
InChIKeyRWWMOCJELVEQQL-SFHVURJKSA-N
XLogP2.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(adamantan-2-yl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
CID 46888869
Proline scaffold, 34
CID 42618131
(2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide
CID 75411528
(2R)-2-cyclohexyl-2-[(2S)-2-[4-(2-methoxyethyl)piperazine-1-carbonyl]pyrrolidin-1-yl]-N-methylacetamide
CID 75411411
(2R)-2-cyclohexyl-N-methyl-2-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 75411406
(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyrrolidine-2-carboxamide
CID 75529644
N,N-diethyl-1-(oxan-4-ylmethylamino)cyclohexane-1-carboxamide
CID 71873671
(2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 127021217
[(2R,4S)-4-fluoropyrrolidin-2-yl]-[4-(oxan-4-ylmethyl)piperazin-1-yl]methanone
CID 126780795
N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-[1-(tetrahydro-2H-pyran-4-ylcarbonyl)-4-piperidinyl]propanamide
CID 45220917
N-[1-(cyclohexylmethyl)-5-oxo-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide
CID 45227367
1-(cyclohexylcarbonyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 46992490

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-cyclohexylethyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-cyclohexylethyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide (CID 70876379) is (2S)-N-(2-cyclohexylethyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-cyclohexylethyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-cyclohexylethyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCCC1CCCCC1)[C@@H]1CCCN1CC1CCOCC1.
What is the InChIKey of (2S)-N-(2-cyclohexylethyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is RWWMOCJELVEQQL-SFHVURJKSA-N. The full InChI is InChI=1S/C19H34N2O2/c22-19(20-11-8-16-5-2-1-3-6-16)18-7-4-12-21(18)15-17-9-13-23-14-10-17/h16-18H,1-15H2,(H,20,22)/t18-/m0/s1.
What are the key properties of (2S)-N-(2-cyclohexylethyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-N-(2-cyclohexylethyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 322.49 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-cyclohexylethyl)-1-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 70876379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).