(2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-oxopyrrolidine-2-carboxamide

C14H24N2O3 — CID 124606026

IUPAC(2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-oxopyrrolidine-2-carboxamide
SMILESC[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C14H24N2O3/c1-10-4-2-3-5-12(10)19-9-8-15-14(18)11-6-7-13(17)16-11/h10-12H,2-9H2,1H3,(H,15,18)(H,16,17)/t10-,11-,12+/m1/s1
InChIKeyHUMQFIHXLLZRTI-UTUOFQBUSA-N
MW268.36 g/mol
LogP0.98
Rot. Bonds5

About (2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 124606026) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID124606026
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-oxopyrrolidine-2-carboxamide
SMILESC[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C14H24N2O3/c1-10-4-2-3-5-12(10)19-9-8-15-14(18)11-6-7-13(17)16-11/h10-12H,2-9H2,1H3,(H,15,18)(H,16,17)/t10-,11-,12+/m1/s1
InChIKeyHUMQFIHXLLZRTI-UTUOFQBUSA-N
XLogP0.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4-difluoro-N-[2-(2-methylcyclohexyl)oxyethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120348137
4,4-difluoro-N-[2-(2-methylcyclohexyl)oxyethyl]pyrrolidine-2-carboxamide
CID 120348138
4,4-difluoro-N-[(1-propoxycyclohexyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120350880
4,4-difluoro-N-[(1-propoxycyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 120350881
1-(2-methoxyethyl)-2-methyl-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide
CID 4306438
(2S)-2-amino-4-methyl-N-(1-oxaspiro[4.5]decan-3-yl)pentanamide
CID 118427444
2-acetamido-3-(cyclohexylmethoxy)-N-methylbutanamide
CID 164604801
(2S)-N-[(2S,6R)-2,6-dimethyloxan-4-yl]-4-methylpyrrolidine-2-carboxamide
CID 169672666
3-(cyclohexylmethoxy)-N-methyl-2-(propanoylamino)butanamide
CID 169687639
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide
CID 170755642
2-Acetamido-3-(cyclohexylmethoxy)butanamide
CID 170758215
3-(Cyclohexylmethoxy)-2-(2-methylpropanoylamino)butanamide
CID 171593950

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-oxopyrrolidine-2-carboxamide (CID 124606026) is (2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-oxopyrrolidine-2-carboxamide is C[C@@H]1CCCC[C@@H]1OCCNC(=O)[C@H]1CCC(=O)N1.
What is the InChIKey of (2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is HUMQFIHXLLZRTI-UTUOFQBUSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10-4-2-3-5-12(10)19-9-8-15-14(18)11-6-7-13(17)16-11/h10-12H,2-9H2,1H3,(H,15,18)(H,16,17)/t10-,11-,12+/m1/s1.
What are the key properties of (2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 124606026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).