2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide

C16H24N2O — CID 16889525

IUPAC2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide
SMILESCC(C)C(=O)NCCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H24N2O/c1-13(2)16(19)17-10-9-14-5-7-15(8-6-14)18-11-3-4-12-18/h5-8,13H,3-4,9-12H2,1-2H3,(H,17,19)
InChIKeyVKELBLLNSKJSBF-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.60
Rot. Bonds5

About 2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide

2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide (PubChem CID 16889525) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide
PubChem CID16889525
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide
SMILESCC(C)C(=O)NCCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H24N2O/c1-13(2)16(19)17-10-9-14-5-7-15(8-6-14)18-11-3-4-12-18/h5-8,13H,3-4,9-12H2,1-2H3,(H,17,19)
InChIKeyVKELBLLNSKJSBF-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]butanamide
CID 110404917
N'-(1-phenylethyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891599
2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 16890076
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-methylbenzamide
CID 16889356
N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide
CID 110404973
N-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110647246
4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889466
2,5-dichloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889501
5-bromo-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]furan-2-carboxamide
CID 16889512
N'-cyclopentyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide
CID 16892223
butyl N-[2-(4-piperidin-1-ylphenyl)ethyl]carbamate
CID 139510767
2-methyl-N-[2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide
CID 113071351

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide (CID 16889525) is 2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide is CC(C)C(=O)NCCc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide?
The InChIKey is VKELBLLNSKJSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(2)16(19)17-10-9-14-5-7-15(8-6-14)18-11-3-4-12-18/h5-8,13H,3-4,9-12H2,1-2H3,(H,17,19).
What are the key properties of 2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide?
2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide has a molecular weight of 260.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 16889525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).