N-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide

C14H26N2O — CID 115590481

IUPACN-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide
SMILESCCC1CCC(CNC(=O)N2CCCC2)CC1
InChIInChI=1S/C14H26N2O/c1-2-12-5-7-13(8-6-12)11-15-14(17)16-9-3-4-10-16/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyFOHDIYAISJQNPT-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.01
Rot. Bonds3

About N-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide

N-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 115590481) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide
PubChem CID115590481
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide
SMILESCCC1CCC(CNC(=O)N2CCCC2)CC1
InChIInChI=1S/C14H26N2O/c1-2-12-5-7-13(8-6-12)11-15-14(17)16-9-3-4-10-16/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyFOHDIYAISJQNPT-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-[(pyrrolidine-1-carbonylamino)methyl]cyclohexyl]methyl]pyrrolidine-1-carboxamide
CID 43834019
N,4-diethylazepane-1-carboxamide
CID 89043568
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444
1-N-[(4-ethylcyclohexyl)methyl]-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 166322196
4-[[(3-methylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525817
ethane;4-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-1-carboxamide
CID 144702610
N-(2-cyclopropylethyl)pyrrolidine-1-carboxamide
CID 54293585
2-[1-(cyclopropylmethylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608907
N-[(3-aminocyclohexyl)methyl]azepane-1-carboxamide
CID 106125214
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]azepane-1-carboxamide
CID 115596093
N-(cyclopentylmethyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 47253167
1-(cyclohexylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 43371699

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide (CID 115590481) is N-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide is CCC1CCC(CNC(=O)N2CCCC2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is FOHDIYAISJQNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-12-5-7-13(8-6-12)11-15-14(17)16-9-3-4-10-16/h12-13H,2-11H2,1H3,(H,15,17).
What are the key properties of N-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide?
N-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 115590481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).