2-(azetidin-3-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]propanamide

C17H27N3O — CID 116676204

IUPAC2-(azetidin-3-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]propanamide
SMILESCC(C(=O)N(CCN(C)C)Cc1ccccc1)C1CNC1
InChIInChI=1S/C17H27N3O/c1-14(16-11-18-12-16)17(21)20(10-9-19(2)3)13-15-7-5-4-6-8-15/h4-8,14,16,18H,9-13H2,1-3H3
InChIKeyJAYUPTQSMIGYKS-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.43
Rot. Bonds7

About 2-(azetidin-3-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]propanamide

2-(azetidin-3-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 116676204) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID116676204
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(azetidin-3-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]propanamide
SMILESCC(C(=O)N(CCN(C)C)Cc1ccccc1)C1CNC1
InChIInChI=1S/C17H27N3O/c1-14(16-11-18-12-16)17(21)20(10-9-19(2)3)13-15-7-5-4-6-8-15/h4-8,14,16,18H,9-13H2,1-3H3
InChIKeyJAYUPTQSMIGYKS-UHFFFAOYSA-N
XLogP1.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(azetidin-3-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]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

2-(azetidin-3-yl)-N-benzyl-N-(cyanomethyl)propanamide
CID 116676863
2-(azetidin-3-yl)-N-ethyl-N-(2-phenylethyl)propanamide
CID 116676512
N-benzyl-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 60666282
(3S)-N-benzyl-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 81126278
(3S)-N-benzyl-N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 58715019
N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutanecarboxamide
CID 78811308
2-(azetidin-3-yl)-N-[(3-chlorophenyl)methyl]-N-methylpropanamide
CID 116676134
N-benzyl-N-[2-(dimethylamino)ethyl]-2,2,2-trifluoroacetamide
CID 60707749
N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide
CID 54876796
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
CID 54869876
2-(azetidin-3-yl)-N-(1-phenylpropan-2-yl)propanamide
CID 116677788
N-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041165

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]propanamide (CID 116676204) is 2-(azetidin-3-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]propanamide is CC(C(=O)N(CCN(C)C)Cc1ccccc1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is JAYUPTQSMIGYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(16-11-18-12-16)17(21)20(10-9-19(2)3)13-15-7-5-4-6-8-15/h4-8,14,16,18H,9-13H2,1-3H3.
What are the key properties of 2-(azetidin-3-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]propanamide?
2-(azetidin-3-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 289.42 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 116676204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).