3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-[4-(dimethylamino)butyl]propanamide

C19H32N4O — CID 39112746

IUPAC3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-[4-(dimethylamino)butyl]propanamide
SMILESCN(C)CCCCNC(=O)CCc1ccc(N2CCCC2)c(N)c1
InChIInChI=1S/C19H32N4O/c1-22(2)12-4-3-11-21-19(24)10-8-16-7-9-18(17(20)15-16)23-13-5-6-14-23/h7,9,15H,3-6,8,10-14,20H2,1-2H3,(H,21,24)
InChIKeyHQNVHZXQSJXHTC-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.26
Rot. Bonds9

About 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-[4-(dimethylamino)butyl]propanamide

3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-[4-(dimethylamino)butyl]propanamide (PubChem CID 39112746) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-[4-(dimethylamino)butyl]propanamide.

Molecular Properties

Compound Name3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-[4-(dimethylamino)butyl]propanamide
PubChem CID39112746
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-[4-(dimethylamino)butyl]propanamide
SMILESCN(C)CCCCNC(=O)CCc1ccc(N2CCCC2)c(N)c1
InChIInChI=1S/C19H32N4O/c1-22(2)12-4-3-11-21-19(24)10-8-16-7-9-18(17(20)15-16)23-13-5-6-14-23/h7,9,15H,3-6,8,10-14,20H2,1-2H3,(H,21,24)
InChIKeyHQNVHZXQSJXHTC-UHFFFAOYSA-N
XLogP2.26
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-[4-(dimethylamino)butyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(3-methylbutyl)propanamide
CID 39112758
3-(3-amino-4-morpholin-4-ylphenyl)-N-pentylpropanamide
CID 39112930
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 39112705
3-[3-amino-4-(4-methylpiperazin-1-yl)phenyl]-N-(2-methoxyethyl)propanamide
CID 39112865
3-(3-amino-4-piperidin-1-ylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 82070972
N-[2-(dimethylamino)ethyl]-3-(2-pyrrolidin-1-yl-4-pyridinyl)propanamide
CID 53185944
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N,N-bis(2-methylpropyl)propanamide
CID 39131071
N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343
3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
CID 110464585
N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
CID 94913793
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-[2-(dimethylamino)ethyl]propanamide
CID 94759123
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide
CID 28712797

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-[4-(dimethylamino)butyl]propanamide?
The IUPAC name of 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-[4-(dimethylamino)butyl]propanamide (CID 39112746) is 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-[4-(dimethylamino)butyl]propanamide.
What is the SMILES notation for 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-[4-(dimethylamino)butyl]propanamide?
The canonical SMILES for 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-[4-(dimethylamino)butyl]propanamide is CN(C)CCCCNC(=O)CCc1ccc(N2CCCC2)c(N)c1.
What is the InChIKey of 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-[4-(dimethylamino)butyl]propanamide?
The InChIKey is HQNVHZXQSJXHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-22(2)12-4-3-11-21-19(24)10-8-16-7-9-18(17(20)15-16)23-13-5-6-14-23/h7,9,15H,3-6,8,10-14,20H2,1-2H3,(H,21,24).
What are the key properties of 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-[4-(dimethylamino)butyl]propanamide?
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-[4-(dimethylamino)butyl]propanamide has a molecular weight of 332.49 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-[4-(dimethylamino)butyl]propanamide is sourced from PubChem (CID 39112746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).