2-[butyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide

C17H27N3O — CID 109006153

IUPAC2-[butyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCCCN(C)CC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-3-4-11-19(2)14-17(21)18-15-7-9-16(10-8-15)20-12-5-6-13-20/h7-10H,3-6,11-14H2,1-2H3,(H,18,21)
InChIKeyYMQZASLUCQYOBN-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.96
Rot. Bonds7

About 2-[butyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-[butyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 109006153) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID109006153
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[butyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCCCN(C)CC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-3-4-11-19(2)14-17(21)18-15-7-9-16(10-8-15)20-12-5-6-13-20/h7-10H,3-6,11-14H2,1-2H3,(H,18,21)
InChIKeyYMQZASLUCQYOBN-UHFFFAOYSA-N
XLogP2.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[butyl(methyl)amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109006156
3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 108795373
2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[ethyl(2-hydroxyethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 31994583
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
2-[ethyl(2-hydroxyethyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 110881174
2-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 55353682
3-(butylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109012504
2-[(4-cyanophenyl)methyl-propylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 55841564
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8584049
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[butyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 109006153) is 2-[butyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[butyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide is CCCCN(C)CC(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-[butyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is YMQZASLUCQYOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-4-11-19(2)14-17(21)18-15-7-9-16(10-8-15)20-12-5-6-13-20/h7-10H,3-6,11-14H2,1-2H3,(H,18,21).
What are the key properties of 2-[butyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-[butyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 109006153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).