4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide

C15H23N3O — CID 63324217

IUPAC4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide
SMILESCN1CCC(NC(=O)CCC(N)c2ccccc2)C1
InChIInChI=1S/C15H23N3O/c1-18-10-9-13(11-18)17-15(19)8-7-14(16)12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3,(H,17,19)
InChIKeyZHHQJOSCYXGGBH-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.29
Rot. Bonds5

About 4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide

4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide (PubChem CID 63324217) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide
PubChem CID63324217
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide
SMILESCN1CCC(NC(=O)CCC(N)c2ccccc2)C1
InChIInChI=1S/C15H23N3O/c1-18-10-9-13(11-18)17-15(19)8-7-14(16)12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3,(H,17,19)
InChIKeyZHHQJOSCYXGGBH-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide
CID 63324219
4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide
CID 79377333
3-amino-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465444
4-amino-N-(oxan-3-yl)-4-phenylbutanamide
CID 63363689
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707
3-amino-N-(1,3-dimethylpiperidin-4-yl)-3-phenylpropanamide
CID 115748935
4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide
CID 107222076
3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 43711347
N-(1-methylpyrrolidin-3-yl)-2-(2-methylsulfanylphenyl)acetamide
CID 110473699
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-phenylbutanamide
CID 114629642
5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 61462313
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide?
The IUPAC name of 4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide (CID 63324217) is 4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide is CN1CCC(NC(=O)CCC(N)c2ccccc2)C1.
What is the InChIKey of 4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide?
The InChIKey is ZHHQJOSCYXGGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18-10-9-13(11-18)17-15(19)8-7-14(16)12-5-3-2-4-6-12/h2-6,13-14H,7-11,16H2,1H3,(H,17,19).
What are the key properties of 4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide?
4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide has a molecular weight of 261.37 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide is sourced from PubChem (CID 63324217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).