N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]propanamide

C15H22N2O — CID 110640432

IUPACN-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]propanamide
SMILESCCC(=O)NCC1CCN(c2cccc(C)c2)C1
InChIInChI=1S/C15H22N2O/c1-3-15(18)16-10-13-7-8-17(11-13)14-6-4-5-12(2)9-14/h4-6,9,13H,3,7-8,10-11H2,1-2H3,(H,16,18)
InChIKeyUZYRFUDYAWNJTP-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.35
Rot. Bonds4

About N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]propanamide

N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]propanamide (PubChem CID 110640432) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]propanamide
PubChem CID110640432
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]propanamide
SMILESCCC(=O)NCC1CCN(c2cccc(C)c2)C1
InChIInChI=1S/C15H22N2O/c1-3-15(18)16-10-13-7-8-17(11-13)14-6-4-5-12(2)9-14/h4-6,9,13H,3,7-8,10-11H2,1-2H3,(H,16,18)
InChIKeyUZYRFUDYAWNJTP-UHFFFAOYSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pentanamide
CID 110413858
3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640446
2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640445
2,6-dimethyl-N-[[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 125161213
N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 94799317
6-methyl-N-[[(3S)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide
CID 125160463
3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640456
(3S)-3-(carbamoylamino)-3-(3-methylphenyl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]propanamide
CID 35218612
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95215856
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide
CID 95296545
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide
CID 95285621
6-tert-butyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide
CID 91777783

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]propanamide?
The IUPAC name of N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]propanamide (CID 110640432) is N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]propanamide.
What is the SMILES notation for N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]propanamide?
The canonical SMILES for N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]propanamide is CCC(=O)NCC1CCN(c2cccc(C)c2)C1.
What is the InChIKey of N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]propanamide?
The InChIKey is UZYRFUDYAWNJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-15(18)16-10-13-7-8-17(11-13)14-6-4-5-12(2)9-14/h4-6,9,13H,3,7-8,10-11H2,1-2H3,(H,16,18).
What are the key properties of N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]propanamide?
N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]propanamide has a molecular weight of 246.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]propanamide is sourced from PubChem (CID 110640432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).