4-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride

C20H36ClN3O2 — CID 119552192

IUPAC4-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
SMILESCN(C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)C1CCNC1.Cl
InChIInChI=1S/C20H35N3O2.ClH/c1-23(18-11-12-21-14-18)20(25)16-7-9-17(10-8-16)22-19(24)13-15-5-3-2-4-6-15;/h15-18,21H,2-14H2,1H3,(H,22,24);1H
InChIKeyZSNDNCKLGIBFNO-UHFFFAOYSA-N
MW385.98 g/mol
LogP2.87
Rot. Bonds5

About 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride

4-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 119552192) has the molecular formula C20H36ClN3O2 and a molecular weight of 385.98 g/mol. Its IUPAC name is 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
PubChem CID119552192
Molecular FormulaC20H36ClN3O2
Molecular Weight385.98 g/mol
Exact Mass385.25
IUPAC Name4-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
SMILESCN(C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)C1CCNC1.Cl
InChIInChI=1S/C20H35N3O2.ClH/c1-23(18-11-12-21-14-18)20(25)16-7-9-17(10-8-16)22-19(24)13-15-5-3-2-4-6-15;/h15-18,21H,2-14H2,1H3,(H,22,24);1H
InChIKeyZSNDNCKLGIBFNO-UHFFFAOYSA-N
XLogP2.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.98
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-cyclohexylacetyl)amino]-N-piperidin-4-yl-N-propylcyclohexane-1-carboxamide;hydrochloride
CID 119824580
2-cyclohexyl-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260670
2-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119554088
4-[(2-cyclopentylacetyl)amino]-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 120555118
2-cyclopentyl-N-pyrrolidin-3-ylacetamide
CID 60778008
N-cyclohexyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922828
2-cyclohexyl-N-[(3S)-piperidin-3-yl]acetamide
CID 92664479
3-cyclohexyl-1-methyl-1-pyrrolidin-3-ylurea
CID 60805183
2-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 103165051
(3S)-N-methyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 131110681
N-cyclohexyl-N-methylpiperidine-4-carboxamide;hydrochloride
CID 56831937
N-cyclohexyl-3-[propyl(pyrrolidin-3-yl)amino]propanamide
CID 63304196

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride (CID 119552192) is 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride is CN(C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1)C1CCNC1.Cl.
What is the InChIKey of 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is ZSNDNCKLGIBFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2.ClH/c1-23(18-11-12-21-14-18)20(25)16-7-9-17(10-8-16)22-19(24)13-15-5-3-2-4-6-15;/h15-18,21H,2-14H2,1H3,(H,22,24);1H.
What are the key properties of 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride?
4-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 385.98 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119552192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).