3-(4-methylpentan-2-yloxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride

C14H29ClN2O2 — CID 119514198

IUPAC3-(4-methylpentan-2-yloxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
SMILESCC(C)CC(C)OCCC(=O)NCC1CCCN1.Cl
InChIInChI=1S/C14H28N2O2.ClH/c1-11(2)9-12(3)18-8-6-14(17)16-10-13-5-4-7-15-13;/h11-13,15H,4-10H2,1-3H3,(H,16,17);1H
InChIKeyXVXPLWMTYOZUCP-UHFFFAOYSA-N
MW292.85 g/mol
LogP2.12
Rot. Bonds8

About 3-(4-methylpentan-2-yloxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride

3-(4-methylpentan-2-yloxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride (PubChem CID 119514198) has the molecular formula C14H29ClN2O2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 3-(4-methylpentan-2-yloxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-methylpentan-2-yloxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
PubChem CID119514198
Molecular FormulaC14H29ClN2O2
Molecular Weight292.85 g/mol
Exact Mass292.19
IUPAC Name3-(4-methylpentan-2-yloxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
SMILESCC(C)CC(C)OCCC(=O)NCC1CCCN1.Cl
InChIInChI=1S/C14H28N2O2.ClH/c1-11(2)9-12(3)18-8-6-14(17)16-10-13-5-4-7-15-13;/h11-13,15H,4-10H2,1-3H3,(H,16,17);1H
InChIKeyXVXPLWMTYOZUCP-UHFFFAOYSA-N
XLogP2.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylpentan-2-yloxy)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119464085
2-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)acetamide
CID 112701289
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
2-[3-(4-methylpentan-2-yloxy)propyl]pyrrolidine
CID 62480662
(2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine
CID 102819966
3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510409
4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide
CID 177056000
3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
CID 119511693
3-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
CID 119510156
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
(2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 130719126
(2R)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 126992577

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentan-2-yloxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 3-(4-methylpentan-2-yloxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride (CID 119514198) is 3-(4-methylpentan-2-yloxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(4-methylpentan-2-yloxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 3-(4-methylpentan-2-yloxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride is CC(C)CC(C)OCCC(=O)NCC1CCCN1.Cl.
What is the InChIKey of 3-(4-methylpentan-2-yloxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
The InChIKey is XVXPLWMTYOZUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2.ClH/c1-11(2)9-12(3)18-8-6-14(17)16-10-13-5-4-7-15-13;/h11-13,15H,4-10H2,1-3H3,(H,16,17);1H.
What are the key properties of 3-(4-methylpentan-2-yloxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride?
3-(4-methylpentan-2-yloxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride has a molecular weight of 292.85 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentan-2-yloxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119514198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).