N-(1-benzyl-2-methylpyrrolidin-3-yl)-2-(4-methylcyclohexyl)oxyacetamide

C21H32N2O2 — CID 167992740

IUPACN-(1-benzyl-2-methylpyrrolidin-3-yl)-2-(4-methylcyclohexyl)oxyacetamide
SMILESCC1CCC(OCC(=O)NC2CCN(Cc3ccccc3)C2C)CC1
InChIInChI=1S/C21H32N2O2/c1-16-8-10-19(11-9-16)25-15-21(24)22-20-12-13-23(17(20)2)14-18-6-4-3-5-7-18/h3-7,16-17,19-20H,8-15H2,1-2H3,(H,22,24)
InChIKeyBHZMCZNJJIRWDK-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.36
Rot. Bonds6

About N-(1-benzyl-2-methylpyrrolidin-3-yl)-2-(4-methylcyclohexyl)oxyacetamide

N-(1-benzyl-2-methylpyrrolidin-3-yl)-2-(4-methylcyclohexyl)oxyacetamide (PubChem CID 167992740) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-(1-benzyl-2-methylpyrrolidin-3-yl)-2-(4-methylcyclohexyl)oxyacetamide.

Molecular Properties

Compound NameN-(1-benzyl-2-methylpyrrolidin-3-yl)-2-(4-methylcyclohexyl)oxyacetamide
PubChem CID167992740
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-(1-benzyl-2-methylpyrrolidin-3-yl)-2-(4-methylcyclohexyl)oxyacetamide
SMILESCC1CCC(OCC(=O)NC2CCN(Cc3ccccc3)C2C)CC1
InChIInChI=1S/C21H32N2O2/c1-16-8-10-19(11-9-16)25-15-21(24)22-20-12-13-23(17(20)2)14-18-6-4-3-5-7-18/h3-7,16-17,19-20H,8-15H2,1-2H3,(H,22,24)
InChIKeyBHZMCZNJJIRWDK-UHFFFAOYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R,3R,4R)-1-benzyl-2,3-dimethylpiperidin-4-yl]carbamate
CID 124526422
tert-butyl N-[(2S,3R)-1-benzyl-2-methylpiperidin-3-yl]carbamate
CID 95242120
1-amino-3-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylguanidine
CID 130559150
methyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate
CID 129407469
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490
N-(1-benzyl-2-methylpyrrolidin-3-yl)-2-methylpyridin-3-amine
CID 130546436
methyl (2S,3S)-1-benzyl-3-hydroxypyrrolidine-2-carboxylate
CID 57385727
[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamic acid
CID 137369868
methyl (2S,3R)-1-benzyl-3-methylpiperidine-2-carboxylate
CID 10610504
1-(1-benzyl-2-methylpyrrolidin-3-yl)-3-[1-(3-hydroxypropyl)piperidin-3-yl]urea
CID 166236575
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-cyclopentyloxyacetamide
CID 71876739
methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-methylpyrrolidin-3-yl)-2-(4-methylcyclohexyl)oxyacetamide?
The IUPAC name of N-(1-benzyl-2-methylpyrrolidin-3-yl)-2-(4-methylcyclohexyl)oxyacetamide (CID 167992740) is N-(1-benzyl-2-methylpyrrolidin-3-yl)-2-(4-methylcyclohexyl)oxyacetamide.
What is the SMILES notation for N-(1-benzyl-2-methylpyrrolidin-3-yl)-2-(4-methylcyclohexyl)oxyacetamide?
The canonical SMILES for N-(1-benzyl-2-methylpyrrolidin-3-yl)-2-(4-methylcyclohexyl)oxyacetamide is CC1CCC(OCC(=O)NC2CCN(Cc3ccccc3)C2C)CC1.
What is the InChIKey of N-(1-benzyl-2-methylpyrrolidin-3-yl)-2-(4-methylcyclohexyl)oxyacetamide?
The InChIKey is BHZMCZNJJIRWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-16-8-10-19(11-9-16)25-15-21(24)22-20-12-13-23(17(20)2)14-18-6-4-3-5-7-18/h3-7,16-17,19-20H,8-15H2,1-2H3,(H,22,24).
What are the key properties of N-(1-benzyl-2-methylpyrrolidin-3-yl)-2-(4-methylcyclohexyl)oxyacetamide?
N-(1-benzyl-2-methylpyrrolidin-3-yl)-2-(4-methylcyclohexyl)oxyacetamide has a molecular weight of 344.50 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-methylpyrrolidin-3-yl)-2-(4-methylcyclohexyl)oxyacetamide is sourced from PubChem (CID 167992740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).