4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide

C15H23N3O — CID 54862533

IUPAC4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
SMILESCNCCCC(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C15H23N3O/c1-16-9-5-8-15(19)17-13-6-4-7-14(12-13)18-10-2-3-11-18/h4,6-7,12,16H,2-3,5,8-11H2,1H3,(H,17,19)
InChIKeyDYLRXZVDUPDBBY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.22
Rot. Bonds6

About 4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide

4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide (PubChem CID 54862533) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
PubChem CID54862533
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
SMILESCNCCCC(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C15H23N3O/c1-16-9-5-8-15(19)17-13-6-4-7-14(12-13)18-10-2-3-11-18/h4,6-7,12,16H,2-3,5,8-11H2,1H3,(H,17,19)
InChIKeyDYLRXZVDUPDBBY-UHFFFAOYSA-N
XLogP2.22
TPSA44.37 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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(azepan-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119892130
4-(propan-2-ylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 60928577
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520
5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 114014794
N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704662
4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride
CID 119692821
3-acetamido-N-(3-piperidin-1-ylphenyl)propanamide
CID 110426221
7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide
CID 119892117
N-(3-pyrrolidin-1-ylphenyl)-4-sulfamoylbutanamide
CID 126839368
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119870392
2-chloro-N-(3-piperidin-1-ylphenyl)acetamide
CID 43822445
4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
CID 120565751

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The IUPAC name of 4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide (CID 54862533) is 4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide.
What is the SMILES notation for 4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The canonical SMILES for 4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide is CNCCCC(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide?
The InChIKey is DYLRXZVDUPDBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-16-9-5-8-15(19)17-13-6-4-7-14(12-13)18-10-2-3-11-18/h4,6-7,12,16H,2-3,5,8-11H2,1H3,(H,17,19).
What are the key properties of 4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide?
4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide has a molecular weight of 261.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide is sourced from PubChem (CID 54862533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).