2-methyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide

C15H23N3O — CID 61220361

IUPAC2-methyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide
SMILESCC(C)(NCc1ccccc1N1CCCC1)C(N)=O
InChIInChI=1S/C15H23N3O/c1-15(2,14(16)19)17-11-12-7-3-4-8-13(12)18-9-5-6-10-18/h3-4,7-8,17H,5-6,9-11H2,1-2H3,(H2,16,19)
InChIKeyAIDYLHRUBDZSGU-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.64
Rot. Bonds5

About 2-methyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide

2-methyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide (PubChem CID 61220361) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide.

Molecular Properties

Compound Name2-methyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide
PubChem CID61220361
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-methyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide
SMILESCC(C)(NCc1ccccc1N1CCCC1)C(N)=O
InChIInChI=1S/C15H23N3O/c1-15(2,14(16)19)17-11-12-7-3-4-8-13(12)18-9-5-6-10-18/h3-4,7-8,17H,5-6,9-11H2,1-2H3,(H2,16,19)
InChIKeyAIDYLHRUBDZSGU-UHFFFAOYSA-N
XLogP1.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

3-[(2-pyrrolidin-1-ylphenyl)methylamino]butanamide
CID 115676792
2-(2-piperidin-1-ylphenyl)acetohydrazide
CID 10847264
2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pentan-2-amine
CID 115621683
3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide
CID 43777430
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
2-[(2,3-dichlorophenyl)methylamino]-2-methylpropanamide
CID 61219594
ethyl 2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetate
CID 54921193
N-ethyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43221678
1-[2-(2,2-dimethylpropyl)phenyl]pyrrolidine
CID 129255508
2-[(2-ethoxyphenyl)methylamino]-2-methylpropanamide
CID 61211249
tert-butyl N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]carbamate
CID 39869621

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide?
The IUPAC name of 2-methyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide (CID 61220361) is 2-methyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide.
What is the SMILES notation for 2-methyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide?
The canonical SMILES for 2-methyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide is CC(C)(NCc1ccccc1N1CCCC1)C(N)=O.
What is the InChIKey of 2-methyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide?
The InChIKey is AIDYLHRUBDZSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,14(16)19)17-11-12-7-3-4-8-13(12)18-9-5-6-10-18/h3-4,7-8,17H,5-6,9-11H2,1-2H3,(H2,16,19).
What are the key properties of 2-methyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide?
2-methyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide has a molecular weight of 261.37 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide is sourced from PubChem (CID 61220361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).