N-(3-amino-4-pyrrolidin-1-ylphenyl)butanamide

C14H21N3O — CID 91676069

IUPACN-(3-amino-4-pyrrolidin-1-ylphenyl)butanamide
SMILESCCCC(=O)Nc1ccc(N2CCCC2)c(N)c1
InChIInChI=1S/C14H21N3O/c1-2-5-14(18)16-11-6-7-13(12(15)10-11)17-8-3-4-9-17/h6-7,10H,2-5,8-9,15H2,1H3,(H,16,18)
InChIKeyPQGLXDFWEGTJKI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.61
Rot. Bonds4

About N-(3-amino-4-pyrrolidin-1-ylphenyl)butanamide

N-(3-amino-4-pyrrolidin-1-ylphenyl)butanamide (PubChem CID 91676069) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(3-amino-4-pyrrolidin-1-ylphenyl)butanamide.

Molecular Properties

Compound NameN-(3-amino-4-pyrrolidin-1-ylphenyl)butanamide
PubChem CID91676069
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(3-amino-4-pyrrolidin-1-ylphenyl)butanamide
SMILESCCCC(=O)Nc1ccc(N2CCCC2)c(N)c1
InChIInChI=1S/C14H21N3O/c1-2-5-14(18)16-11-6-7-13(12(15)10-11)17-8-3-4-9-17/h6-7,10H,2-5,8-9,15H2,1H3,(H,16,18)
InChIKeyPQGLXDFWEGTJKI-UHFFFAOYSA-N
XLogP2.61
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.61
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 91676098
N-[3-amino-4-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 91676100
N-(3-amino-4-piperidin-1-ylphenyl)-2-methylpropanamide
CID 91676092
5-(butanoylamino)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 771427
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
N-(3-amino-4-bromophenyl)butanamide
CID 79768270
N-(3-amino-4-pyrrolidin-1-ylphenyl)-4-butoxybenzamide;N-methylmethanamine
CID 142931385
N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]butanamide
CID 17102767
N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91676338
N-(4-amino-3-piperidin-1-ylphenyl)acetamide
CID 69310437
N-(3-amino-4-morpholin-4-ylphenyl)acetamide
CID 42560587
5-(octanoylamino)-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 42755821

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyrrolidin-1-ylphenyl)butanamide?
The IUPAC name of N-(3-amino-4-pyrrolidin-1-ylphenyl)butanamide (CID 91676069) is N-(3-amino-4-pyrrolidin-1-ylphenyl)butanamide.
What is the SMILES notation for N-(3-amino-4-pyrrolidin-1-ylphenyl)butanamide?
The canonical SMILES for N-(3-amino-4-pyrrolidin-1-ylphenyl)butanamide is CCCC(=O)Nc1ccc(N2CCCC2)c(N)c1.
What is the InChIKey of N-(3-amino-4-pyrrolidin-1-ylphenyl)butanamide?
The InChIKey is PQGLXDFWEGTJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-5-14(18)16-11-6-7-13(12(15)10-11)17-8-3-4-9-17/h6-7,10H,2-5,8-9,15H2,1H3,(H,16,18).
What are the key properties of N-(3-amino-4-pyrrolidin-1-ylphenyl)butanamide?
N-(3-amino-4-pyrrolidin-1-ylphenyl)butanamide has a molecular weight of 247.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyrrolidin-1-ylphenyl)butanamide is sourced from PubChem (CID 91676069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).