3-acetamido-N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride

C17H26ClN3O2 — CID 119553846

IUPAC3-acetamido-N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCC(=O)NC(CC(=O)N(C)C1CCNC1)c1ccc(C)cc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-12-4-6-14(7-5-12)16(19-13(2)21)10-17(22)20(3)15-8-9-18-11-15;/h4-7,15-16,18H,8-11H2,1-3H3,(H,19,21);1H
InChIKeyDIRWPLBZYJHDDU-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.80
Rot. Bonds5

About 3-acetamido-N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride

3-acetamido-N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119553846) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 3-acetamido-N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119553846
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name3-acetamido-N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCC(=O)NC(CC(=O)N(C)C1CCNC1)c1ccc(C)cc1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-12-4-6-14(7-5-12)16(19-13(2)21)10-17(22)20(3)15-8-9-18-11-15;/h4-7,15-16,18H,8-11H2,1-3H3,(H,19,21);1H
InChIKeyDIRWPLBZYJHDDU-UHFFFAOYSA-N
XLogP1.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-methyl-3-phenyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442701
N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpentanamide
CID 119550358
N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 55027680
3-acetamido-3-(4-chlorophenyl)-N-methyl-N-(4-methylcyclohexyl)propanamide
CID 51312505
3-acetamido-N-methyl-3-(4-methylphenyl)-N-(2-methylpropyl)propanamide
CID 134058928
3-(carbamoylamino)-N-methyl-3-(3-phenoxyphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119551193
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
3-acetamido-3-(4-methylphenyl)-N,N-bis(prop-2-enyl)propanamide
CID 75854684
(3R)-3-acetamido-N-[(1R)-1-cyclopropylethyl]-3-(4-methylphenyl)propanamide
CID 30796495
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 38831458
N-[3-[2-(cyclopropanecarbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 51195347
3-acetamido-N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(4-methylphenyl)propanamide
CID 134011457

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 3-acetamido-N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119553846) is 3-acetamido-N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-acetamido-N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 3-acetamido-N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride is CC(=O)NC(CC(=O)N(C)C1CCNC1)c1ccc(C)cc1.Cl.
What is the InChIKey of 3-acetamido-N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is DIRWPLBZYJHDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-12-4-6-14(7-5-12)16(19-13(2)21)10-17(22)20(3)15-8-9-18-11-15;/h4-7,15-16,18H,8-11H2,1-3H3,(H,19,21);1H.
What are the key properties of 3-acetamido-N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride?
3-acetamido-N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119553846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).