3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide

C15H22N2O — CID 80563288

IUPAC3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide
SMILESCc1cccc(CCC(=O)NCC2CCNC2)c1
InChIInChI=1S/C15H22N2O/c1-12-3-2-4-13(9-12)5-6-15(18)17-11-14-7-8-16-10-14/h2-4,9,14,16H,5-8,10-11H2,1H3,(H,17,18)
InChIKeyAWBUANHCWMOLAX-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.65
Rot. Bonds5

About 3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide

3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide (PubChem CID 80563288) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide
PubChem CID80563288
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide
SMILESCc1cccc(CCC(=O)NCC2CCNC2)c1
InChIInChI=1S/C15H22N2O/c1-12-3-2-4-13(9-12)5-6-15(18)17-11-14-7-8-16-10-14/h2-4,9,14,16H,5-8,10-11H2,1H3,(H,17,18)
InChIKeyAWBUANHCWMOLAX-UHFFFAOYSA-N
XLogP1.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119462406
3-(3-methylphenyl)-N-[(3-methylpiperidin-2-yl)methyl]propanamide
CID 63304882
3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
CID 91660400
N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 62690046
N-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-(3-methylphenyl)propanamide
CID 110719902
3-(3-nitrophenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119460321
2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555044
3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110755294
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide
CID 119462114
methyl 3-[2-oxo-2-(pyrrolidin-3-ylmethylamino)ethyl]benzoate;hydrochloride
CID 166238732
3-(3-methylphenyl)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]propanamide
CID 104971869

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide?
The IUPAC name of 3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide (CID 80563288) is 3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide is Cc1cccc(CCC(=O)NCC2CCNC2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide?
The InChIKey is AWBUANHCWMOLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-3-2-4-13(9-12)5-6-15(18)17-11-14-7-8-16-10-14/h2-4,9,14,16H,5-8,10-11H2,1H3,(H,17,18).
What are the key properties of 3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide?
3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide has a molecular weight of 246.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-(pyrrolidin-3-ylmethyl)propanamide is sourced from PubChem (CID 80563288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).