4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide

C15H23N3O — CID 80542782

IUPAC4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide
SMILESCC(CCN)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C15H23N3O/c1-12(7-8-16)15(19)17-13-5-4-6-14(11-13)18-9-2-3-10-18/h4-6,11-12H,2-3,7-10,16H2,1H3,(H,17,19)
InChIKeyGCWSQQDAKUSUHN-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.21
Rot. Bonds5

About 4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide

4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide (PubChem CID 80542782) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide
PubChem CID80542782
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide
SMILESCC(CCN)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C15H23N3O/c1-12(7-8-16)15(19)17-13-5-4-6-14(11-13)18-9-2-3-10-18/h4-6,11-12H,2-3,7-10,16H2,1H3,(H,17,19)
InChIKeyGCWSQQDAKUSUHN-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 104684218
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 61179793
(2S)-2-amino-N-[3-(azepan-1-yl)phenyl]-4-methylpentanamide
CID 119892187
(2S)-2-methyl-3-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 51495526
4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
CID 120565751
4-amino-2-methyl-N-(3-methylphenyl)butanamide
CID 80542067
(2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide
CID 119872849
2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
CID 119892163
2-[[2-methyl-3-(methylamino)propanoyl]amino]-N-(3-pyrrolidin-1-ylphenyl)pentanamide;dihydrochloride
CID 119872864
1-(3-methylbutyl)-3-(3-pyrrolidin-1-ylphenyl)urea
CID 52738068
3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide
CID 124626431

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The IUPAC name of 4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide (CID 80542782) is 4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide.
What is the SMILES notation for 4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The canonical SMILES for 4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide is CC(CCN)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The InChIKey is GCWSQQDAKUSUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(7-8-16)15(19)17-13-5-4-6-14(11-13)18-9-2-3-10-18/h4-6,11-12H,2-3,7-10,16H2,1H3,(H,17,19).
What are the key properties of 4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide?
4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide has a molecular weight of 261.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide is sourced from PubChem (CID 80542782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).