N-(2,3-dimethylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide

C17H33N3O — CID 63304066

IUPACN-(2,3-dimethylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
SMILESCCCN(CC(=O)NC1CCCC(C)C1C)C1CCNC1
InChIInChI=1S/C17H33N3O/c1-4-10-20(15-8-9-18-11-15)12-17(21)19-16-7-5-6-13(2)14(16)3/h13-16,18H,4-12H2,1-3H3,(H,19,21)
InChIKeyFIWVCXBKCDEIIL-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.00
Rot. Bonds6

About N-(2,3-dimethylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide

N-(2,3-dimethylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide (PubChem CID 63304066) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
PubChem CID63304066
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
SMILESCCCN(CC(=O)NC1CCCC(C)C1C)C1CCNC1
InChIInChI=1S/C17H33N3O/c1-4-10-20(15-8-9-18-11-15)12-17(21)19-16-7-5-6-13(2)14(16)3/h13-16,18H,4-12H2,1-3H3,(H,19,21)
InChIKeyFIWVCXBKCDEIIL-UHFFFAOYSA-N
XLogP2.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[azetidin-3-yl(propyl)amino]-N-(2,3-dimethylcyclohexyl)acetamide
CID 66213902
N-(4-methylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921661
N'-acetyl-2-[propyl(pyrrolidin-3-yl)amino]acetohydrazide
CID 63300602
N-propan-2-yl-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921653
N-ethyl-2-[piperidin-3-yl(propyl)amino]acetamide
CID 63638025
N-(2-cyanoethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63301073
N-(cyclopropylmethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921724
N-(4-methylcyclohexyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119933013
2-[azetidin-3-yl(ethyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 66182805
N-(2-methylpropyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921772
N-(ethylcarbamoyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921450
N-(cyclopropylmethyl)-2-[piperidin-3-yl(propyl)amino]acetamide
CID 55245887

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide (CID 63304066) is N-(2,3-dimethylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide is CCCN(CC(=O)NC1CCCC(C)C1C)C1CCNC1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide?
The InChIKey is FIWVCXBKCDEIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-4-10-20(15-8-9-18-11-15)12-17(21)19-16-7-5-6-13(2)14(16)3/h13-16,18H,4-12H2,1-3H3,(H,19,21).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide?
N-(2,3-dimethylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide has a molecular weight of 295.47 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 63304066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).