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

C13H28ClN3O — CID 119921772

IUPACN-(2-methylpropyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
SMILESCCCN(CC(=O)NCC(C)C)C1CCNC1.Cl
InChIInChI=1S/C13H27N3O.ClH/c1-4-7-16(12-5-6-14-9-12)10-13(17)15-8-11(2)3;/h11-12,14H,4-10H2,1-3H3,(H,15,17);1H
InChIKeyKUMLAMWJWPLTMM-UHFFFAOYSA-N
MW277.84 g/mol
LogP1.25
Rot. Bonds7

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

N-(2-methylpropyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride (PubChem CID 119921772) has the molecular formula C13H28ClN3O and a molecular weight of 277.84 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
PubChem CID119921772
Molecular FormulaC13H28ClN3O
Molecular Weight277.84 g/mol
Exact Mass277.19
IUPAC NameN-(2-methylpropyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
SMILESCCCN(CC(=O)NCC(C)C)C1CCNC1.Cl
InChIInChI=1S/C13H27N3O.ClH/c1-4-7-16(12-5-6-14-9-12)10-13(17)15-8-11(2)3;/h11-12,14H,4-10H2,1-3H3,(H,15,17);1H
InChIKeyKUMLAMWJWPLTMM-UHFFFAOYSA-N
XLogP1.25
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921653
N-(cyclopropylmethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921724
N-(2-methylpropylcarbamoyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119932861
N-(ethylcarbamoyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921450
N-(2-cyanoethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63301073
N-ethyl-2-[piperidin-3-yl(propyl)amino]acetamide
CID 63638025
N'-acetyl-2-[propyl(pyrrolidin-3-yl)amino]acetohydrazide
CID 63300602
N-(4-methylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921661
N-ethyl-2-[piperidin-4-yl(propyl)amino]acetamide
CID 60807335
2-[methyl(piperidin-4-yl)amino]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119913617
N-[(4-fluorophenyl)methyl]-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63304113
N-(cyclopropylmethyl)-2-[piperidin-3-yl(propyl)amino]acetamide
CID 55245887

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride?
The IUPAC name of N-(2-methylpropyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride (CID 119921772) is N-(2-methylpropyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride.
What is the SMILES notation for N-(2-methylpropyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride?
The canonical SMILES for N-(2-methylpropyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride is CCCN(CC(=O)NCC(C)C)C1CCNC1.Cl.
What is the InChIKey of N-(2-methylpropyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride?
The InChIKey is KUMLAMWJWPLTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O.ClH/c1-4-7-16(12-5-6-14-9-12)10-13(17)15-8-11(2)3;/h11-12,14H,4-10H2,1-3H3,(H,15,17);1H.
What are the key properties of N-(2-methylpropyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride?
N-(2-methylpropyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride has a molecular weight of 277.84 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride is sourced from PubChem (CID 119921772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).