3-(3,4-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide

C16H24N2O2 — CID 119514495

IUPAC3-(3,4-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCc1ccc(OCCC(=O)NCC2CCCN2)cc1C
InChIInChI=1S/C16H24N2O2/c1-12-5-6-15(10-13(12)2)20-9-7-16(19)18-11-14-4-3-8-17-14/h5-6,10,14,17H,3-4,7-9,11H2,1-2H3,(H,18,19)
InChIKeyPWLGSBHQENOCHH-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.94
Rot. Bonds6

About 3-(3,4-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide

3-(3,4-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide (PubChem CID 119514495) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(3,4-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
PubChem CID119514495
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(3,4-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCc1ccc(OCCC(=O)NCC2CCCN2)cc1C
InChIInChI=1S/C16H24N2O2/c1-12-5-6-15(10-13(12)2)20-9-7-16(19)18-11-14-4-3-8-17-14/h5-6,10,14,17H,3-4,7-9,11H2,1-2H3,(H,18,19)
InChIKeyPWLGSBHQENOCHH-UHFFFAOYSA-N
XLogP1.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510409
4-[3-oxo-3-(pyrrolidin-2-ylmethylamino)propoxy]benzamide;hydrochloride
CID 119511609
4-(4-iodophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514046
4-(4-methylsulfonylphenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119514677
3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide
CID 120597846
2-(3,4-dimethylphenoxy)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461053
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119512002
3-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513702
3-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide
CID 111539418
2-(3,4-dimethylphenoxy)ethyl (2S)-piperidine-2-carboxylate
CID 122595161
2-(2,6-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119514519
N-[3-(4-methylphenoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 119757273

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide?
The IUPAC name of 3-(3,4-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide (CID 119514495) is 3-(3,4-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3,4-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide is Cc1ccc(OCCC(=O)NCC2CCCN2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide?
The InChIKey is PWLGSBHQENOCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-5-6-15(10-13(12)2)20-9-7-16(19)18-11-14-4-3-8-17-14/h5-6,10,14,17H,3-4,7-9,11H2,1-2H3,(H,18,19).
What are the key properties of 3-(3,4-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide?
3-(3,4-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide has a molecular weight of 276.38 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide is sourced from PubChem (CID 119514495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).