N-(4-methylphenyl)-3-pyrrolidin-1-ylbutanamide

C15H22N2O — CID 4637275

IUPACN-(4-methylphenyl)-3-pyrrolidin-1-ylbutanamide
SMILESCc1ccc(NC(=O)CC(C)N2CCCC2)cc1
InChIInChI=1S/C15H22N2O/c1-12-5-7-14(8-6-12)16-15(18)11-13(2)17-9-3-4-10-17/h5-8,13H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyVJAVIGCLFFDMRS-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.81
Rot. Bonds4

About N-(4-methylphenyl)-3-pyrrolidin-1-ylbutanamide

N-(4-methylphenyl)-3-pyrrolidin-1-ylbutanamide (PubChem CID 4637275) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-pyrrolidin-1-ylbutanamide
PubChem CID4637275
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(4-methylphenyl)-3-pyrrolidin-1-ylbutanamide
SMILESCc1ccc(NC(=O)CC(C)N2CCCC2)cc1
InChIInChI=1S/C15H22N2O/c1-12-5-7-14(8-6-12)16-15(18)11-13(2)17-9-3-4-10-17/h5-8,13H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyVJAVIGCLFFDMRS-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-(4-methylphenyl)-3-pyrrolidin-1-ylbutanamide (CID 4637275) is N-(4-methylphenyl)-3-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-(4-methylphenyl)-3-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-(4-methylphenyl)-3-pyrrolidin-1-ylbutanamide is Cc1ccc(NC(=O)CC(C)N2CCCC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-pyrrolidin-1-ylbutanamide?
The InChIKey is VJAVIGCLFFDMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-5-7-14(8-6-12)16-15(18)11-13(2)17-9-3-4-10-17/h5-8,13H,3-4,9-11H2,1-2H3,(H,16,18).
What are the key properties of N-(4-methylphenyl)-3-pyrrolidin-1-ylbutanamide?
N-(4-methylphenyl)-3-pyrrolidin-1-ylbutanamide has a molecular weight of 246.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 4637275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).