3-(butylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide

C17H27N3O — CID 109012504

IUPAC3-(butylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCCCCNCCC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-2-3-11-18-12-10-17(21)19-15-6-8-16(9-7-15)20-13-4-5-14-20/h6-9,18H,2-5,10-14H2,1H3,(H,19,21)
InChIKeyMRXYDJIQPSLOLM-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.01
Rot. Bonds8

About 3-(butylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide

3-(butylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 109012504) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(butylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(butylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID109012504
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-(butylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCCCCNCCC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-2-3-11-18-12-10-17(21)19-15-6-8-16(9-7-15)20-13-4-5-14-20/h6-9,18H,2-5,10-14H2,1H3,(H,19,21)
InChIKeyMRXYDJIQPSLOLM-UHFFFAOYSA-N
XLogP3.01
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
3-[butyl(methyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 108795373
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
3-acetamido-N-[4-(azepan-1-yl)phenyl]propanamide
CID 17462050
N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108505148
3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109019030
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
3-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109017152
5-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pentanamide
CID 79199227
3-chloro-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 43701399
N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide
CID 113000164

Frequently Asked Questions

What is the IUPAC name of 3-(butylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(butylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 109012504) is 3-(butylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(butylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(butylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide is CCCCNCCC(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 3-(butylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is MRXYDJIQPSLOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-3-11-18-12-10-17(21)19-15-6-8-16(9-7-15)20-13-4-5-14-20/h6-9,18H,2-5,10-14H2,1H3,(H,19,21).
What are the key properties of 3-(butylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
3-(butylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 289.42 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 109012504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).