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

C17H26N2O — CID 110404917

IUPAC3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]butanamide
SMILESCC(C)CC(=O)NCCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H26N2O/c1-14(2)13-17(20)18-10-9-15-5-7-16(8-6-15)19-11-3-4-12-19/h5-8,14H,3-4,9-13H2,1-2H3,(H,18,20)
InChIKeyBJNYQOXIZAWHQQ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.99
Rot. Bonds6

About 3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]butanamide

3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]butanamide (PubChem CID 110404917) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]butanamide
PubChem CID110404917
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]butanamide
SMILESCC(C)CC(=O)NCCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H26N2O/c1-14(2)13-17(20)18-10-9-15-5-7-16(8-6-15)19-11-3-4-12-19/h5-8,14H,3-4,9-13H2,1-2H3,(H,18,20)
InChIKeyBJNYQOXIZAWHQQ-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.99
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

2-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]propanamide
CID 16889525
2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 16890076
N-propan-2-yl-3-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110647246
N'-(1-phenylethyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891599
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-4-methylbenzamide
CID 16889356
N-butyl-3-(4-piperidin-1-ylphenyl)propanamide
CID 110647332
4-chloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889466
5-bromo-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]furan-2-carboxamide
CID 16889512
N-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 60674409
N-(3-methylbutyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108951836
N'-cyclopentyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide
CID 16892223
N-[2-(4-piperidin-1-ylphenyl)ethyl]pyridine-4-carboxamide
CID 110404973

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]butanamide (CID 110404917) is 3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]butanamide is CC(C)CC(=O)NCCc1ccc(N2CCCC2)cc1.
What is the InChIKey of 3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]butanamide?
The InChIKey is BJNYQOXIZAWHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14(2)13-17(20)18-10-9-15-5-7-16(8-6-15)19-11-3-4-12-19/h5-8,14H,3-4,9-13H2,1-2H3,(H,18,20).
What are the key properties of 3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]butanamide?
3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]butanamide has a molecular weight of 274.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]butanamide is sourced from PubChem (CID 110404917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).