2-(1,4-diazepan-1-yl)-N-(2,2-dimethoxyethyl)acetamide

C11H23N3O3 — CID 62839766

IUPAC2-(1,4-diazepan-1-yl)-N-(2,2-dimethoxyethyl)acetamide
SMILESCOC(CNC(=O)CN1CCCNCC1)OC
InChIInChI=1S/C11H23N3O3/c1-16-11(17-2)8-13-10(15)9-14-6-3-4-12-5-7-14/h11-12H,3-9H2,1-2H3,(H,13,15)
InChIKeyUEVDOWUVLXEQOT-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.98
Rot. Bonds6

About 2-(1,4-diazepan-1-yl)-N-(2,2-dimethoxyethyl)acetamide

2-(1,4-diazepan-1-yl)-N-(2,2-dimethoxyethyl)acetamide (PubChem CID 62839766) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(2,2-dimethoxyethyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(2,2-dimethoxyethyl)acetamide
PubChem CID62839766
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name2-(1,4-diazepan-1-yl)-N-(2,2-dimethoxyethyl)acetamide
SMILESCOC(CNC(=O)CN1CCCNCC1)OC
InChIInChI=1S/C11H23N3O3/c1-16-11(17-2)8-13-10(15)9-14-6-3-4-12-5-7-14/h11-12H,3-9H2,1-2H3,(H,13,15)
InChIKeyUEVDOWUVLXEQOT-UHFFFAOYSA-N
XLogP-0.98
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-methylpropanoic acid
CID 62833118
2-(1,4-diazepan-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65035920
N-(2-methoxypropyl)-2-piperazin-1-ylacetamide;dihydrochloride
CID 69457989
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 81073099
methyl 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]propanoate
CID 62837481
2-(1,4-diazepan-1-yl)-N-(2-methylsulfonylethyl)acetamide
CID 62837051
3-[[[2-(1,4-diazepan-1-yl)acetyl]amino]methyl]pentanoic acid
CID 81073298
N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62839250
2-(1,4-diazepan-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 106247485
2-(1,4-diazepan-1-yl)-N-(3-propoxypropyl)acetamide
CID 82939966
methyl 2-[[2-(1,4-diazepan-1-yl)acetyl]amino]-3-methylbutanoate
CID 62839439
2-(1,4-diazepan-1-yl)acetohydrazide
CID 63577135

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2,2-dimethoxyethyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2,2-dimethoxyethyl)acetamide (CID 62839766) is 2-(1,4-diazepan-1-yl)-N-(2,2-dimethoxyethyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(2,2-dimethoxyethyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(2,2-dimethoxyethyl)acetamide is COC(CNC(=O)CN1CCCNCC1)OC.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(2,2-dimethoxyethyl)acetamide?
The InChIKey is UEVDOWUVLXEQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-16-11(17-2)8-13-10(15)9-14-6-3-4-12-5-7-14/h11-12H,3-9H2,1-2H3,(H,13,15).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(2,2-dimethoxyethyl)acetamide?
2-(1,4-diazepan-1-yl)-N-(2,2-dimethoxyethyl)acetamide has a molecular weight of 245.32 g/mol, XLogP of -0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(2,2-dimethoxyethyl)acetamide is sourced from PubChem (CID 62839766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).