N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide

C14H26N2O2 — CID 52657662

IUPACN-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
SMILESC[C@@H]1CCCC[C@H]1OCCNC(=O)N1CCCC1
InChIInChI=1S/C14H26N2O2/c1-12-6-2-3-7-13(12)18-11-8-15-14(17)16-9-4-5-10-16/h12-13H,2-11H2,1H3,(H,15,17)/t12-,13-/m1/s1
InChIKeyCFKVBHPLWVBFRE-CHWSQXEVSA-N
MW254.37 g/mol
LogP2.39
Rot. Bonds4

About N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide

N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide (PubChem CID 52657662) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
PubChem CID52657662
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
SMILESC[C@@H]1CCCC[C@H]1OCCNC(=O)N1CCCC1
InChIInChI=1S/C14H26N2O2/c1-12-6-2-3-7-13(12)18-11-8-15-14(17)16-9-4-5-10-16/h12-13H,2-11H2,1H3,(H,15,17)/t12-,13-/m1/s1
InChIKeyCFKVBHPLWVBFRE-CHWSQXEVSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
CID 52657660
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1,4-thiazepane-4-carboxamide
CID 96555189
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 95573046
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 94031283
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1-sulfamoylpiperidine-4-carboxamide
CID 94824406
4-[2-(2-methylcyclohexyl)oxyethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672702
(2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 124805895
(2S)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94026393
4-(5-chlorothiophen-2-yl)sulfonyl-N-[2-(2-methylcyclohexyl)oxyethyl]piperazine-1-carboxamide
CID 55809091
1-[2-[2-(2-methylcyclohexyl)oxyethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 56796664
1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 56825722
N'-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 119131756

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide (CID 52657662) is N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide is C[C@@H]1CCCC[C@H]1OCCNC(=O)N1CCCC1.
What is the InChIKey of N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide?
The InChIKey is CFKVBHPLWVBFRE-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12-6-2-3-7-13(12)18-11-8-15-14(17)16-9-4-5-10-16/h12-13H,2-11H2,1H3,(H,15,17)/t12-,13-/m1/s1.
What are the key properties of N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide?
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 52657662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).