2-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

C16H30ClN3O2 — CID 119554088

IUPAC2-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCC(NC(=O)CC1CCCCC1)C(=O)N(C)C1CCNC1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-12(16(21)19(2)14-8-9-17-11-14)18-15(20)10-13-6-4-3-5-7-13;/h12-14,17H,3-11H2,1-2H3,(H,18,20);1H
InChIKeyVMGXLBFLAFOPME-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.70
Rot. Bonds5

About 2-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

2-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119554088) has the molecular formula C16H30ClN3O2 and a molecular weight of 331.89 g/mol. Its IUPAC name is 2-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119554088
Molecular FormulaC16H30ClN3O2
Molecular Weight331.89 g/mol
Exact Mass331.20
IUPAC Name2-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCC(NC(=O)CC1CCCCC1)C(=O)N(C)C1CCNC1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-12(16(21)19(2)14-8-9-17-11-14)18-15(20)10-13-6-4-3-5-7-13;/h12-14,17H,3-11H2,1-2H3,(H,18,20);1H
InChIKeyVMGXLBFLAFOPME-UHFFFAOYSA-N
XLogP1.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260670
4-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylcyclohexane-1-carboxamide;hydrochloride
CID 119552192
2-cyclohexyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride
CID 119473107
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
2-cycloheptyl-N-(1-piperidin-3-ylethyl)acetamide
CID 115736930
N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 119554091
2,2-dimethyl-N-[1-[methyl(piperidin-4-yl)amino]-1-oxopropan-2-yl]propanamide;hydrochloride
CID 119443872
2-cyclohexyl-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride
CID 119418106
2-cyclohexyl-N-ethyl-N-pyrrolidin-3-ylacetamide
CID 60807538
3-cyclopentyl-N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]propanamide
CID 119550902
2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethyl-N-methylpropanamide
CID 103109207
N-ethyl-2-[(2-piperidin-3-ylacetyl)amino]propanamide
CID 62691243

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 2-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119554088) is 2-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 2-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 2-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is CC(NC(=O)CC1CCCCC1)C(=O)N(C)C1CCNC1.Cl.
What is the InChIKey of 2-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is VMGXLBFLAFOPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.ClH/c1-12(16(21)19(2)14-8-9-17-11-14)18-15(20)10-13-6-4-3-5-7-13;/h12-14,17H,3-11H2,1-2H3,(H,18,20);1H.
What are the key properties of 2-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
2-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexylacetyl)amino]-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119554088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).