N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide

C15H23N3O — CID 61494179

IUPACN-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCCCN2CCCC2)cc1
InChIInChI=1S/C15H23N3O/c1-13(19)17-15-7-5-14(6-8-15)16-9-4-12-18-10-2-3-11-18/h5-8,16H,2-4,9-12H2,1H3,(H,17,19)
InChIKeyCRHNTNKSTYFFOZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.54
Rot. Bonds6

About N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide

N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide (PubChem CID 61494179) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide
PubChem CID61494179
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCCCN2CCCC2)cc1
InChIInChI=1S/C15H23N3O/c1-13(19)17-15-7-5-14(6-8-15)16-9-4-12-18-10-2-3-11-18/h5-8,16H,2-4,9-12H2,1H3,(H,17,19)
InChIKeyCRHNTNKSTYFFOZ-UHFFFAOYSA-N
XLogP2.54
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 61494408
4-N,4-N-dimethyl-1-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
CID 54961012
N-(4-piperidin-1-ylbutyl)aniline
CID 67607520
N-[4-(3-piperidin-1-ylpropanoyl)phenyl]acetamide;hydrochloride
CID 54601120
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 87006985
N-(6-piperidin-1-ylhexyl)aniline
CID 70509590
4-(2-chloroethyl)-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 65023588
1-(4-aminophenyl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 62991029
N-[4-[methyl(2-piperidin-1-ylethyl)sulfamoyl]phenyl]acetamide
CID 110753478
N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide
CID 60673794
5-acetamido-N-[3-(azepan-1-yl)propyl]-2-(methanesulfonamido)benzamide
CID 56579751

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide?
The IUPAC name of N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide (CID 61494179) is N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide?
The canonical SMILES for N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide is CC(=O)Nc1ccc(NCCCN2CCCC2)cc1.
What is the InChIKey of N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide?
The InChIKey is CRHNTNKSTYFFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-13(19)17-15-7-5-14(6-8-15)16-9-4-12-18-10-2-3-11-18/h5-8,16H,2-4,9-12H2,1H3,(H,17,19).
What are the key properties of N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide?
N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide has a molecular weight of 261.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide is sourced from PubChem (CID 61494179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).