N-(2,5-dimethylphenyl)-3-pyrrolidin-1-ium-1-ylpropanamide

C15H23N2O+ — CID 4742184

IUPACN-(2,5-dimethylphenyl)-3-pyrrolidin-1-ium-1-ylpropanamide
SMILESCc1ccc(C)c(NC(=O)CC[NH+]2CCCC2)c1
InChIInChI=1S/C15H22N2O/c1-12-5-6-13(2)14(11-12)16-15(18)7-10-17-8-3-4-9-17/h5-6,11H,3-4,7-10H2,1-2H3,(H,16,18)/p+1
InChIKeyMCCHJGFYUXQIMW-UHFFFAOYSA-O
MW247.36 g/mol
LogP1.31
Rot. Bonds4

About N-(2,5-dimethylphenyl)-3-pyrrolidin-1-ium-1-ylpropanamide

N-(2,5-dimethylphenyl)-3-pyrrolidin-1-ium-1-ylpropanamide (PubChem CID 4742184) has the molecular formula C15H23N2O+ and a molecular weight of 247.36 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-pyrrolidin-1-ium-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-pyrrolidin-1-ium-1-ylpropanamide
PubChem CID4742184
Molecular FormulaC15H23N2O+
Molecular Weight247.36 g/mol
Exact Mass247.18
IUPAC NameN-(2,5-dimethylphenyl)-3-pyrrolidin-1-ium-1-ylpropanamide
SMILESCc1ccc(C)c(NC(=O)CC[NH+]2CCCC2)c1
InChIInChI=1S/C15H22N2O/c1-12-5-6-13(2)14(11-12)16-15(18)7-10-17-8-3-4-9-17/h5-6,11H,3-4,7-10H2,1-2H3,(H,16,18)/p+1
InChIKeyMCCHJGFYUXQIMW-UHFFFAOYSA-O
XLogP1.31
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,5-dimethylphenyl)-3-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 4746710
N-(2,5-dimethylphenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 7343530
3-(azepan-1-ium-1-yl)-N-(3,5-dimethylphenyl)propanamide
CID 3419888
3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 113116404
N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033115
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251
N-(2,5-dimethylphenyl)-2-(methylamino)acetamide
CID 2396341
3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109016422
N'-[[4-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]hydrazinylidene]methyl]phenyl]methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 3604245
4-amino-N-(2,5-dimethylphenyl)pentanamide;hydrochloride
CID 120558604
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-pyrrolidin-1-ium-1-ylpropanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-pyrrolidin-1-ium-1-ylpropanamide (CID 4742184) is N-(2,5-dimethylphenyl)-3-pyrrolidin-1-ium-1-ylpropanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-pyrrolidin-1-ium-1-ylpropanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-pyrrolidin-1-ium-1-ylpropanamide is Cc1ccc(C)c(NC(=O)CC[NH+]2CCCC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-pyrrolidin-1-ium-1-ylpropanamide?
The InChIKey is MCCHJGFYUXQIMW-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H22N2O/c1-12-5-6-13(2)14(11-12)16-15(18)7-10-17-8-3-4-9-17/h5-6,11H,3-4,7-10H2,1-2H3,(H,16,18)/p+1.
What are the key properties of N-(2,5-dimethylphenyl)-3-pyrrolidin-1-ium-1-ylpropanamide?
N-(2,5-dimethylphenyl)-3-pyrrolidin-1-ium-1-ylpropanamide has a molecular weight of 247.36 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-pyrrolidin-1-ium-1-ylpropanamide is sourced from PubChem (CID 4742184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).