3-[(2-pyrrolidin-1-ylphenyl)methylamino]butanamide

C15H23N3O — CID 115676792

IUPAC3-[(2-pyrrolidin-1-ylphenyl)methylamino]butanamide
SMILESCC(CC(N)=O)NCc1ccccc1N1CCCC1
InChIInChI=1S/C15H23N3O/c1-12(10-15(16)19)17-11-13-6-2-3-7-14(13)18-8-4-5-9-18/h2-3,6-7,12,17H,4-5,8-11H2,1H3,(H2,16,19)
InChIKeyWITROUFBPLRKQI-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.64
Rot. Bonds6

About 3-[(2-pyrrolidin-1-ylphenyl)methylamino]butanamide

3-[(2-pyrrolidin-1-ylphenyl)methylamino]butanamide (PubChem CID 115676792) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-[(2-pyrrolidin-1-ylphenyl)methylamino]butanamide.

Molecular Properties

Compound Name3-[(2-pyrrolidin-1-ylphenyl)methylamino]butanamide
PubChem CID115676792
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-[(2-pyrrolidin-1-ylphenyl)methylamino]butanamide
SMILESCC(CC(N)=O)NCc1ccccc1N1CCCC1
InChIInChI=1S/C15H23N3O/c1-12(10-15(16)19)17-11-13-6-2-3-7-14(13)18-8-4-5-9-18/h2-3,6-7,12,17H,4-5,8-11H2,1H3,(H2,16,19)
InChIKeyWITROUFBPLRKQI-UHFFFAOYSA-N
XLogP1.64
TPSA58.36 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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
2-methyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide
CID 61220361
N-[(2-pyrrolidin-1-ylphenyl)methyl]heptan-2-amine
CID 43220661
3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide
CID 43777430
1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 43435063
(1S)-1-pyridin-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 78979013
1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 62405544
3-[(2-prop-2-ynoxyphenyl)methylamino]butanamide
CID 113250252
2-(2-piperidin-1-ylphenyl)acetohydrazide
CID 10847264
3-[(2-pyrrolidin-1-ylphenyl)methylamino]pentan-1-ol
CID 115644780
N-[(2-pyrrolidin-1-ylphenyl)methyl]hexan-3-amine
CID 62117804

Frequently Asked Questions

What is the IUPAC name of 3-[(2-pyrrolidin-1-ylphenyl)methylamino]butanamide?
The IUPAC name of 3-[(2-pyrrolidin-1-ylphenyl)methylamino]butanamide (CID 115676792) is 3-[(2-pyrrolidin-1-ylphenyl)methylamino]butanamide.
What is the SMILES notation for 3-[(2-pyrrolidin-1-ylphenyl)methylamino]butanamide?
The canonical SMILES for 3-[(2-pyrrolidin-1-ylphenyl)methylamino]butanamide is CC(CC(N)=O)NCc1ccccc1N1CCCC1.
What is the InChIKey of 3-[(2-pyrrolidin-1-ylphenyl)methylamino]butanamide?
The InChIKey is WITROUFBPLRKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(10-15(16)19)17-11-13-6-2-3-7-14(13)18-8-4-5-9-18/h2-3,6-7,12,17H,4-5,8-11H2,1H3,(H2,16,19).
What are the key properties of 3-[(2-pyrrolidin-1-ylphenyl)methylamino]butanamide?
3-[(2-pyrrolidin-1-ylphenyl)methylamino]butanamide has a molecular weight of 261.37 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-pyrrolidin-1-ylphenyl)methylamino]butanamide is sourced from PubChem (CID 115676792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).