N-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide

C21H27N3O — CID 109005175

IUPACN-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
SMILESO=C(CNc1ccc(N2CCCC2)cc1)NCCCc1ccccc1
InChIInChI=1S/C21H27N3O/c25-21(22-14-6-9-18-7-2-1-3-8-18)17-23-19-10-12-20(13-11-19)24-15-4-5-16-24/h1-3,7-8,10-13,23H,4-6,9,14-17H2,(H,22,25)
InChIKeyGCGSGVVFRFYSFZ-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.45
Rot. Bonds8

About N-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide

N-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide (PubChem CID 109005175) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
PubChem CID109005175
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
SMILESO=C(CNc1ccc(N2CCCC2)cc1)NCCCc1ccccc1
InChIInChI=1S/C21H27N3O/c25-21(22-14-6-9-18-7-2-1-3-8-18)17-23-19-10-12-20(13-11-19)24-15-4-5-16-24/h1-3,7-8,10-13,23H,4-6,9,14-17H2,(H,22,25)
InChIKeyGCGSGVVFRFYSFZ-UHFFFAOYSA-N
XLogP3.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.45
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-[2-(2-fluorophenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
CID 109000353
N-[3-(4-piperidin-1-ylphenyl)propyl]benzamide
CID 16890191
2-(4-cyanoanilino)-N-(3-phenylpropyl)acetamide
CID 31667205
N-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 60674409
N-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
CID 108994702
N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide
CID 16889785
N-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
CID 37222450
2-[4-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide
CID 47007122
N-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 60647120
N-[3-(4-pyrrolidin-1-ylphenyl)propyl]-2-thiophen-2-ylacetamide
CID 16889915
4-(4-acetamidophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110204
2-(2-fluorophenoxy)-N-[3-(4-piperidin-1-ylphenyl)propyl]acetamide
CID 16890198

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
The IUPAC name of N-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide (CID 109005175) is N-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide.
What is the SMILES notation for N-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
The canonical SMILES for N-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide is O=C(CNc1ccc(N2CCCC2)cc1)NCCCc1ccccc1.
What is the InChIKey of N-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
The InChIKey is GCGSGVVFRFYSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c25-21(22-14-6-9-18-7-2-1-3-8-18)17-23-19-10-12-20(13-11-19)24-15-4-5-16-24/h1-3,7-8,10-13,23H,4-6,9,14-17H2,(H,22,25).
What are the key properties of N-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
N-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide has a molecular weight of 337.47 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide is sourced from PubChem (CID 109005175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).