N-[4-[(1-benzyl-2-methylpyrrolidin-2-yl)methylamino]cyclohexyl]acetamide

C21H33N3O — CID 119034343

IUPACN-[4-[(1-benzyl-2-methylpyrrolidin-2-yl)methylamino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(NCC2(C)CCCN2Cc2ccccc2)CC1
InChIInChI=1S/C21H33N3O/c1-17(25)23-20-11-9-19(10-12-20)22-16-21(2)13-6-14-24(21)15-18-7-4-3-5-8-18/h3-5,7-8,19-20,22H,6,9-16H2,1-2H3,(H,23,25)
InChIKeyYQOLNKKUCMMGOF-UHFFFAOYSA-N
MW343.51 g/mol
LogP3.08
Rot. Bonds6

About N-[4-[(1-benzyl-2-methylpyrrolidin-2-yl)methylamino]cyclohexyl]acetamide

N-[4-[(1-benzyl-2-methylpyrrolidin-2-yl)methylamino]cyclohexyl]acetamide (PubChem CID 119034343) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is N-[4-[(1-benzyl-2-methylpyrrolidin-2-yl)methylamino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[(1-benzyl-2-methylpyrrolidin-2-yl)methylamino]cyclohexyl]acetamide
PubChem CID119034343
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC NameN-[4-[(1-benzyl-2-methylpyrrolidin-2-yl)methylamino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(NCC2(C)CCCN2Cc2ccccc2)CC1
InChIInChI=1S/C21H33N3O/c1-17(25)23-20-11-9-19(10-12-20)22-16-21(2)13-6-14-24(21)15-18-7-4-3-5-8-18/h3-5,7-8,19-20,22H,6,9-16H2,1-2H3,(H,23,25)
InChIKeyYQOLNKKUCMMGOF-UHFFFAOYSA-N
XLogP3.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2S)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-methoxyurea
CID 99703649
4-[(2-benzyl-2-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 122032957
(3aS,6aR)-2-[(1-benzyl-2-methylpyrrolidin-2-yl)methylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122010859
[(2R)-1-benzyl-2-methylpiperidin-2-yl]methanol
CID 97184583
1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-2-ylmethyl)urea
CID 99823025
N-[(1-benzyl-2-methylpyrrolidin-2-yl)methyl]-2-methylpyrazole-3-carboxamide
CID 136533373
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1-methylpyrazol-4-yl)urea
CID 99702276
1-benzyl-N-[(1-methylcyclopentyl)methyl]piperidin-4-amine
CID 63821124
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
N-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide
CID 49399454
4-[[(2R)-2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]methyl]phenol
CID 99859032

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-benzyl-2-methylpyrrolidin-2-yl)methylamino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[(1-benzyl-2-methylpyrrolidin-2-yl)methylamino]cyclohexyl]acetamide (CID 119034343) is N-[4-[(1-benzyl-2-methylpyrrolidin-2-yl)methylamino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[(1-benzyl-2-methylpyrrolidin-2-yl)methylamino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[(1-benzyl-2-methylpyrrolidin-2-yl)methylamino]cyclohexyl]acetamide is CC(=O)NC1CCC(NCC2(C)CCCN2Cc2ccccc2)CC1.
What is the InChIKey of N-[4-[(1-benzyl-2-methylpyrrolidin-2-yl)methylamino]cyclohexyl]acetamide?
The InChIKey is YQOLNKKUCMMGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-17(25)23-20-11-9-19(10-12-20)22-16-21(2)13-6-14-24(21)15-18-7-4-3-5-8-18/h3-5,7-8,19-20,22H,6,9-16H2,1-2H3,(H,23,25).
What are the key properties of N-[4-[(1-benzyl-2-methylpyrrolidin-2-yl)methylamino]cyclohexyl]acetamide?
N-[4-[(1-benzyl-2-methylpyrrolidin-2-yl)methylamino]cyclohexyl]acetamide has a molecular weight of 343.51 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-benzyl-2-methylpyrrolidin-2-yl)methylamino]cyclohexyl]acetamide is sourced from PubChem (CID 119034343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).