N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpentanamide

C17H26N2O — CID 119550358

IUPACN-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpentanamide
SMILESCCC(CC(=O)N(C)C1CCNC1)c1ccc(C)cc1
InChIInChI=1S/C17H26N2O/c1-4-14(15-7-5-13(2)6-8-15)11-17(20)19(3)16-9-10-18-12-16/h5-8,14,16,18H,4,9-12H2,1-3H3
InChIKeyZDVUJJFZEGZEHO-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.70
Rot. Bonds5

About N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpentanamide

N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpentanamide (PubChem CID 119550358) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpentanamide.

Molecular Properties

Compound NameN-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpentanamide
PubChem CID119550358
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpentanamide
SMILESCCC(CC(=O)N(C)C1CCNC1)c1ccc(C)cc1
InChIInChI=1S/C17H26N2O/c1-4-14(15-7-5-13(2)6-8-15)11-17(20)19(3)16-9-10-18-12-16/h5-8,14,16,18H,4,9-12H2,1-3H3
InChIKeyZDVUJJFZEGZEHO-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119553846
N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 55027680
N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide
CID 119442941
N-(1-aminopropan-2-yl)-N-methyl-3-(4-methylphenyl)pentanamide
CID 119581659
N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide;hydrochloride
CID 119442940
N-methyl-4-(4-methylphenyl)-N-piperidin-4-ylbutanamide
CID 119443928
3-(2,5-dimethylphenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119551855
2-(diethylamino)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119551607
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide
CID 119554222
N-methyl-2-(2-methylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260686
N-methyl-N-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119550376

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpentanamide?
The IUPAC name of N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpentanamide (CID 119550358) is N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpentanamide.
What is the SMILES notation for N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpentanamide?
The canonical SMILES for N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpentanamide is CCC(CC(=O)N(C)C1CCNC1)c1ccc(C)cc1.
What is the InChIKey of N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpentanamide?
The InChIKey is ZDVUJJFZEGZEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-14(15-7-5-13(2)6-8-15)11-17(20)19(3)16-9-10-18-12-16/h5-8,14,16,18H,4,9-12H2,1-3H3.
What are the key properties of N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpentanamide?
N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpentanamide has a molecular weight of 274.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpentanamide is sourced from PubChem (CID 119550358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).