N-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide

C16H25N3O — CID 43777789

IUPACN-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide
SMILESCCCNC(=O)CNCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H25N3O/c1-2-9-18-16(20)13-17-12-14-5-7-15(8-6-14)19-10-3-4-11-19/h5-8,17H,2-4,9-13H2,1H3,(H,18,20)
InChIKeyKALVYDCNCGUCQN-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.90
Rot. Bonds7

About N-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide

N-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide (PubChem CID 43777789) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide
PubChem CID43777789
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide
SMILESCCCNC(=O)CNCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C16H25N3O/c1-2-9-18-16(20)13-17-12-14-5-7-15(8-6-14)19-10-3-4-11-19/h5-8,17H,2-4,9-13H2,1H3,(H,18,20)
InChIKeyKALVYDCNCGUCQN-UHFFFAOYSA-N
XLogP1.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide 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

N-ethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43777709
N-ethyl-2-[(4-piperidin-1-ylphenyl)methylamino]acetamide
CID 43398950
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
ethyl 2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetate
CID 54921268
N-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine
CID 29042784
2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide
CID 43221383
N-butyl-3-(4-piperidin-1-ylphenyl)propanamide
CID 110647332
N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47226004
2-bromo-N-[(4-piperidin-1-ylphenyl)methyl]prop-2-en-1-amine
CID 115614908
4-[(4-pyrrolidin-1-ylphenyl)methylamino]butanamide
CID 60864122
2-pyrrolidin-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43767984
N-[[4-(1,4-thiazepan-4-yl)phenyl]methyl]propan-1-amine
CID 61419465

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide?
The IUPAC name of N-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide (CID 43777789) is N-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide.
What is the SMILES notation for N-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide?
The canonical SMILES for N-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide is CCCNC(=O)CNCc1ccc(N2CCCC2)cc1.
What is the InChIKey of N-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide?
The InChIKey is KALVYDCNCGUCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-9-18-16(20)13-17-12-14-5-7-15(8-6-14)19-10-3-4-11-19/h5-8,17H,2-4,9-13H2,1H3,(H,18,20).
What are the key properties of N-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide?
N-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide is sourced from PubChem (CID 43777789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).