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

C16H24N2O — CID 83980883

IUPAC2-methyl-3-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide
SMILESCc1cccc(CN2CCC(CC(C)C(N)=O)C2)c1
InChIInChI=1S/C16H24N2O/c1-12-4-3-5-14(8-12)10-18-7-6-15(11-18)9-13(2)16(17)19/h3-5,8,13,15H,6-7,9-11H2,1-2H3,(H2,17,19)
InChIKeyNZBXLZVPUBCTCR-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.33
Rot. Bonds5

About 2-methyl-3-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide

2-methyl-3-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide (PubChem CID 83980883) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-methyl-3-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-3-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide
PubChem CID83980883
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-methyl-3-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide
SMILESCc1cccc(CN2CCC(CC(C)C(N)=O)C2)c1
InChIInChI=1S/C16H24N2O/c1-12-4-3-5-14(8-12)10-18-7-6-15(11-18)9-13(2)16(17)19/h3-5,8,13,15H,6-7,9-11H2,1-2H3,(H2,17,19)
InChIKeyNZBXLZVPUBCTCR-UHFFFAOYSA-N
XLogP2.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 114802511
2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081248
methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980866
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide
CID 17221703
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butan-2-amine
CID 83983420
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
3-[1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-methylpropanoic acid
CID 83980735
2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 83980872
(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 24904607
N-tert-butyl-1-[(3-methylphenyl)methyl]pyrrolidine-3-carboxamide
CID 155981160
N-methyl-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 154872949
2-amino-2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]acetic acid
CID 83982652

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide?
The IUPAC name of 2-methyl-3-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide (CID 83980883) is 2-methyl-3-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-3-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-3-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide is Cc1cccc(CN2CCC(CC(C)C(N)=O)C2)c1.
What is the InChIKey of 2-methyl-3-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide?
The InChIKey is NZBXLZVPUBCTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-4-3-5-14(8-12)10-18-7-6-15(11-18)9-13(2)16(17)19/h3-5,8,13,15H,6-7,9-11H2,1-2H3,(H2,17,19).
What are the key properties of 2-methyl-3-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide?
2-methyl-3-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide has a molecular weight of 260.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 83980883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).