N-(4-methylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride

C16H32ClN3O — CID 119921661

IUPACN-(4-methylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
SMILESCCCN(CC(=O)NC1CCC(C)CC1)C1CCNC1.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-3-10-19(15-8-9-17-11-15)12-16(20)18-14-6-4-13(2)5-7-14;/h13-15,17H,3-12H2,1-2H3,(H,18,20);1H
InChIKeyXUTAINQBYNUHKD-UHFFFAOYSA-N
MW317.91 g/mol
LogP2.18
Rot. Bonds6

About N-(4-methylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride

N-(4-methylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride (PubChem CID 119921661) has the molecular formula C16H32ClN3O and a molecular weight of 317.91 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
PubChem CID119921661
Molecular FormulaC16H32ClN3O
Molecular Weight317.91 g/mol
Exact Mass317.22
IUPAC NameN-(4-methylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
SMILESCCCN(CC(=O)NC1CCC(C)CC1)C1CCNC1.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-3-10-19(15-8-9-17-11-15)12-16(20)18-14-6-4-13(2)5-7-14;/h13-15,17H,3-12H2,1-2H3,(H,18,20);1H
InChIKeyXUTAINQBYNUHKD-UHFFFAOYSA-N
XLogP2.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.91
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylcyclohexyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119933013
2-[azetidin-3-yl(propyl)amino]-N-cyclopropylacetamide
CID 66216105
N-cycloheptyl-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119933007
N-propan-2-yl-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921653
N-(2,3-dimethylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63304066
N-(cyclopropylmethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921724
N'-acetyl-2-[propyl(pyrrolidin-3-yl)amino]acetohydrazide
CID 63300602
N-cyclohexyl-3-[propyl(pyrrolidin-3-yl)amino]propanamide
CID 63304196
N-(ethylcarbamoyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921450
N-(2-methylpropyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921772
N-cyclopropyl-3-[ethyl(pyrrolidin-3-yl)amino]propanamide
CID 63300096
1-(4-methylpiperidin-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone
CID 55203821

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride?
The IUPAC name of N-(4-methylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride (CID 119921661) is N-(4-methylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride?
The canonical SMILES for N-(4-methylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride is CCCN(CC(=O)NC1CCC(C)CC1)C1CCNC1.Cl.
What is the InChIKey of N-(4-methylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride?
The InChIKey is XUTAINQBYNUHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.ClH/c1-3-10-19(15-8-9-17-11-15)12-16(20)18-14-6-4-13(2)5-7-14;/h13-15,17H,3-12H2,1-2H3,(H,18,20);1H.
What are the key properties of N-(4-methylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride?
N-(4-methylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride has a molecular weight of 317.91 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride is sourced from PubChem (CID 119921661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).