2-(1,4-diazepan-1-yl)-N-(oxolan-3-ylmethyl)acetamide

C12H23N3O2 — CID 62839546

IUPAC2-(1,4-diazepan-1-yl)-N-(oxolan-3-ylmethyl)acetamide
SMILESO=C(CN1CCCNCC1)NCC1CCOC1
InChIInChI=1S/C12H23N3O2/c16-12(14-8-11-2-7-17-10-11)9-15-5-1-3-13-4-6-15/h11,13H,1-10H2,(H,14,16)
InChIKeyGPXGYTYSMOYLEG-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.57
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-(oxolan-3-ylmethyl)acetamide

2-(1,4-diazepan-1-yl)-N-(oxolan-3-ylmethyl)acetamide (PubChem CID 62839546) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(oxolan-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(oxolan-3-ylmethyl)acetamide
PubChem CID62839546
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-(1,4-diazepan-1-yl)-N-(oxolan-3-ylmethyl)acetamide
SMILESO=C(CN1CCCNCC1)NCC1CCOC1
InChIInChI=1S/C12H23N3O2/c16-12(14-8-11-2-7-17-10-11)9-15-5-1-3-13-4-6-15/h11,13H,1-10H2,(H,14,16)
InChIKeyGPXGYTYSMOYLEG-UHFFFAOYSA-N
XLogP-0.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1,4-diazepan-1-yl)-N-(oxolan-3-ylmethyl)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-(2-acetamidoethyl)-2-[cyclopropyl(oxolan-3-ylmethyl)amino]acetamide
CID 45891732
1-(Oxolan-3-ylmethyl)piperazin-2-one
CID 64566006
1-(1,4-Diazepan-1-yl)-4-ethoxy-2-methylbutan-1-one
CID 70838962
4-[(Tetrahydro-3-furanyl)methyl]-2-piperazinone
CID 128931853
N-[2-(oxolan-3-ylmethylamino)ethyl]acetamide
CID 43206136
N-methyl-2-(oxolan-3-ylmethylamino)acetamide
CID 43310431
N,N-dimethyl-2-(oxolan-3-ylmethylamino)acetamide
CID 43310856
N,N-diethyl-2-(oxolan-3-ylmethylamino)propanamide
CID 43433587
N-ethyl-2-(oxolan-3-ylmethylamino)acetamide
CID 43566950
2-(oxolan-3-ylmethylamino)-N-propylacetamide
CID 43567303
2-(oxolan-3-ylmethylamino)-N-propan-2-ylacetamide
CID 43567796
N-cyclopropyl-2-(oxolan-3-ylmethylamino)acetamide
CID 43568342

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(oxolan-3-ylmethyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(oxolan-3-ylmethyl)acetamide (CID 62839546) is 2-(1,4-diazepan-1-yl)-N-(oxolan-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(oxolan-3-ylmethyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(oxolan-3-ylmethyl)acetamide is O=C(CN1CCCNCC1)NCC1CCOC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(oxolan-3-ylmethyl)acetamide?
The InChIKey is GPXGYTYSMOYLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c16-12(14-8-11-2-7-17-10-11)9-15-5-1-3-13-4-6-15/h11,13H,1-10H2,(H,14,16).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(oxolan-3-ylmethyl)acetamide?
2-(1,4-diazepan-1-yl)-N-(oxolan-3-ylmethyl)acetamide has a molecular weight of 241.33 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(oxolan-3-ylmethyl)acetamide is sourced from PubChem (CID 62839546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).