2-(3-methylcyclohexyl)oxy-N-(2-pyrrolidin-3-ylethyl)butanamide

C17H32N2O2 — CID 119535778

IUPAC2-(3-methylcyclohexyl)oxy-N-(2-pyrrolidin-3-ylethyl)butanamide
SMILESCCC(OC1CCCC(C)C1)C(=O)NCCC1CCNC1
InChIInChI=1S/C17H32N2O2/c1-3-16(21-15-6-4-5-13(2)11-15)17(20)19-10-8-14-7-9-18-12-14/h13-16,18H,3-12H2,1-2H3,(H,19,20)
InChIKeyBFLIKAMBMFCZJF-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.48
Rot. Bonds7

About 2-(3-methylcyclohexyl)oxy-N-(2-pyrrolidin-3-ylethyl)butanamide

2-(3-methylcyclohexyl)oxy-N-(2-pyrrolidin-3-ylethyl)butanamide (PubChem CID 119535778) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)oxy-N-(2-pyrrolidin-3-ylethyl)butanamide.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)oxy-N-(2-pyrrolidin-3-ylethyl)butanamide
PubChem CID119535778
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name2-(3-methylcyclohexyl)oxy-N-(2-pyrrolidin-3-ylethyl)butanamide
SMILESCCC(OC1CCCC(C)C1)C(=O)NCCC1CCNC1
InChIInChI=1S/C17H32N2O2/c1-3-16(21-15-6-4-5-13(2)11-15)17(20)19-10-8-14-7-9-18-12-14/h13-16,18H,3-12H2,1-2H3,(H,19,20)
InChIKeyBFLIKAMBMFCZJF-UHFFFAOYSA-N
XLogP2.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 63624155
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(3-methylcyclohexyl)oxybutanamide
CID 71994764
4-[[2-(3-methylcyclohexyl)oxybutanoylamino]methyl]oxane-4-carboxylic acid
CID 120541972
2-(3-methylcyclohexyl)oxy-N-morpholin-4-ylbutanamide
CID 71991515
N-(2-amino-2-phenylethyl)-2-(3-methylcyclohexyl)oxybutanamide;hydrochloride
CID 119528546
2-(3-methylcyclopentyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119536431
2-cyclohexyloxy-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120557800
(2S)-2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]butanamide
CID 99847067
2,3,3-trimethyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119534841
2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 112701317
2-(cyclopentylmethyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119555362
2-(2-oxopyrrolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119535176

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)oxy-N-(2-pyrrolidin-3-ylethyl)butanamide?
The IUPAC name of 2-(3-methylcyclohexyl)oxy-N-(2-pyrrolidin-3-ylethyl)butanamide (CID 119535778) is 2-(3-methylcyclohexyl)oxy-N-(2-pyrrolidin-3-ylethyl)butanamide.
What is the SMILES notation for 2-(3-methylcyclohexyl)oxy-N-(2-pyrrolidin-3-ylethyl)butanamide?
The canonical SMILES for 2-(3-methylcyclohexyl)oxy-N-(2-pyrrolidin-3-ylethyl)butanamide is CCC(OC1CCCC(C)C1)C(=O)NCCC1CCNC1.
What is the InChIKey of 2-(3-methylcyclohexyl)oxy-N-(2-pyrrolidin-3-ylethyl)butanamide?
The InChIKey is BFLIKAMBMFCZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-3-16(21-15-6-4-5-13(2)11-15)17(20)19-10-8-14-7-9-18-12-14/h13-16,18H,3-12H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-methylcyclohexyl)oxy-N-(2-pyrrolidin-3-ylethyl)butanamide?
2-(3-methylcyclohexyl)oxy-N-(2-pyrrolidin-3-ylethyl)butanamide has a molecular weight of 296.45 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)oxy-N-(2-pyrrolidin-3-ylethyl)butanamide is sourced from PubChem (CID 119535778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).