4-[(4-pyrrolidin-1-ylphenyl)methylamino]butanamide

C15H23N3O — CID 60864122

IUPAC4-[(4-pyrrolidin-1-ylphenyl)methylamino]butanamide
SMILESNC(=O)CCCNCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H23N3O/c16-15(19)4-3-9-17-12-13-5-7-14(8-6-13)18-10-1-2-11-18/h5-8,17H,1-4,9-12H2,(H2,16,19)
InChIKeyWFSRUJFMVCCSBB-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.64
Rot. Bonds7

About 4-[(4-pyrrolidin-1-ylphenyl)methylamino]butanamide

4-[(4-pyrrolidin-1-ylphenyl)methylamino]butanamide (PubChem CID 60864122) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[(4-pyrrolidin-1-ylphenyl)methylamino]butanamide.

Molecular Properties

Compound Name4-[(4-pyrrolidin-1-ylphenyl)methylamino]butanamide
PubChem CID60864122
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-[(4-pyrrolidin-1-ylphenyl)methylamino]butanamide
SMILESNC(=O)CCCNCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H23N3O/c16-15(19)4-3-9-17-12-13-5-7-14(8-6-13)18-10-1-2-11-18/h5-8,17H,1-4,9-12H2,(H2,16,19)
InChIKeyWFSRUJFMVCCSBB-UHFFFAOYSA-N
XLogP1.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine
CID 29042784
4-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pentan-1-amine
CID 54913869
4-[(4-bromophenyl)methylamino]butanamide
CID 60865006
4-[(4-chlorophenyl)methylamino]butanamide
CID 60865007
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
N-[(4-piperidin-1-ylphenyl)methyl]hex-5-yn-1-amine
CID 103757663
2-pyrrolidin-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43767984
2-methylsulfinyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 115632651
ethyl 2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetate
CID 54921268
N-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43777789
5-[(4-hydroxyphenyl)methylamino]pentanamide
CID 106233275
3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109019030

Frequently Asked Questions

What is the IUPAC name of 4-[(4-pyrrolidin-1-ylphenyl)methylamino]butanamide?
The IUPAC name of 4-[(4-pyrrolidin-1-ylphenyl)methylamino]butanamide (CID 60864122) is 4-[(4-pyrrolidin-1-ylphenyl)methylamino]butanamide.
What is the SMILES notation for 4-[(4-pyrrolidin-1-ylphenyl)methylamino]butanamide?
The canonical SMILES for 4-[(4-pyrrolidin-1-ylphenyl)methylamino]butanamide is NC(=O)CCCNCc1ccc(N2CCCC2)cc1.
What is the InChIKey of 4-[(4-pyrrolidin-1-ylphenyl)methylamino]butanamide?
The InChIKey is WFSRUJFMVCCSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-15(19)4-3-9-17-12-13-5-7-14(8-6-13)18-10-1-2-11-18/h5-8,17H,1-4,9-12H2,(H2,16,19).
What are the key properties of 4-[(4-pyrrolidin-1-ylphenyl)methylamino]butanamide?
4-[(4-pyrrolidin-1-ylphenyl)methylamino]butanamide has a molecular weight of 261.37 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-pyrrolidin-1-ylphenyl)methylamino]butanamide is sourced from PubChem (CID 60864122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).