N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)acetamide

C17H25N3O2 — CID 108994393

IUPACN-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
SMILESO=C(CNc1ccc(N2CCCC2)cc1)NCC1CCCO1
InChIInChI=1S/C17H25N3O2/c21-17(19-12-16-4-3-11-22-16)13-18-14-5-7-15(8-6-14)20-9-1-2-10-20/h5-8,16,18H,1-4,9-13H2,(H,19,21)
InChIKeyVPHBXYUSDZRQCN-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.99
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)acetamide

N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)acetamide (PubChem CID 108994393) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
PubChem CID108994393
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
SMILESO=C(CNc1ccc(N2CCCC2)cc1)NCC1CCCO1
InChIInChI=1S/C17H25N3O2/c21-17(19-12-16-4-3-11-22-16)13-18-14-5-7-15(8-6-14)20-9-1-2-10-20/h5-8,16,18H,1-4,9-13H2,(H,19,21)
InChIKeyVPHBXYUSDZRQCN-UHFFFAOYSA-N
XLogP1.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)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,N-dimethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
CID 54840683
N,N-diethyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
CID 54834167
2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54811659
2-N-(oxolan-2-ylmethyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133590
N-cyclohexyl-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
CID 54843811
2-(oxolan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110696650
2-(4-butoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54820456
N-(2-methoxyethyl)-4-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzamide
CID 54835847
N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109185060
N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109228869
2-(3-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54810604
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994306

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)acetamide (CID 108994393) is N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)acetamide is O=C(CNc1ccc(N2CCCC2)cc1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
The InChIKey is VPHBXYUSDZRQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-17(19-12-16-4-3-11-22-16)13-18-14-5-7-15(8-6-14)20-9-1-2-10-20/h5-8,16,18H,1-4,9-13H2,(H,19,21).
What are the key properties of N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)acetamide has a molecular weight of 303.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)acetamide is sourced from PubChem (CID 108994393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).