N-(benzhydrylideneamino)-2-pyrrolidin-1-ylacetamide

C19H21N3O — CID 3725669

IUPACN-(benzhydrylideneamino)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21N3O/c23-18(15-22-13-7-8-14-22)20-21-19(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2,(H,20,23)
InChIKeyKPJSGSSEDJHIOL-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.65
Rot. Bonds5

About N-(benzhydrylideneamino)-2-pyrrolidin-1-ylacetamide

N-(benzhydrylideneamino)-2-pyrrolidin-1-ylacetamide (PubChem CID 3725669) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(benzhydrylideneamino)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(benzhydrylideneamino)-2-pyrrolidin-1-ylacetamide
PubChem CID3725669
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-(benzhydrylideneamino)-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)NN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21N3O/c23-18(15-22-13-7-8-14-22)20-21-19(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2,(H,20,23)
InChIKeyKPJSGSSEDJHIOL-UHFFFAOYSA-N
XLogP2.65
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(benzhydrylideneamino)-2-pyrrolidin-1-ylacetamide 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

2-(cyclohexylamino)-N'-(diphenylmethylene)acetohydrazide
CID 1479790
2-(cyclohexylamino)-N-[(diphenylmethylene)amino]propanamide
CID 3700372
N'-(diphenylmethylene)-2-morpholinoacetohydrazide
CID 1487616
N'-(diphenylmethylene)-2-(1-pyrrolidinyl)propanohydrazide
CID 3641131
N'-(1-naphthylmethylene)-2-oxo-2-(1-pyrrolidinyl)acetohydrazide
CID 5339194
N'-(benzylideneamino)-N-(2-phenylethyl)oxamide
CID 3105061
2-(diethylamino)-N'-(diphenylmethylene)acetohydrazide
CID 3738739
2-(allylamino)-N'-(diphenylmethylene)acetohydrazide
CID 2765793
2-(4-Benzyl-1-piperazinyl)-N'-(1-phenylethylidene)acetohydrazide
CID 7460542
2-(6-oxo-3-phenylpyridazin-1-yl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 4072843
1-((Diphenylmethylene)amino)pyrrolidin-2-one
CID 13017099
2-(Benzhydrylideneamino)-1-pyrrolidin-1-ylethanone
CID 11077198

Frequently Asked Questions

What is the IUPAC name of N-(benzhydrylideneamino)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(benzhydrylideneamino)-2-pyrrolidin-1-ylacetamide (CID 3725669) is N-(benzhydrylideneamino)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(benzhydrylideneamino)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(benzhydrylideneamino)-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)NN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(benzhydrylideneamino)-2-pyrrolidin-1-ylacetamide?
The InChIKey is KPJSGSSEDJHIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-18(15-22-13-7-8-14-22)20-21-19(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-15H2,(H,20,23).
What are the key properties of N-(benzhydrylideneamino)-2-pyrrolidin-1-ylacetamide?
N-(benzhydrylideneamino)-2-pyrrolidin-1-ylacetamide has a molecular weight of 307.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzhydrylideneamino)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 3725669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).