2-(4-acetyl-1,4-diazepan-1-yl)-N,N-dimethylacetamide

C11H21N3O2 — CID 60699636

IUPAC2-(4-acetyl-1,4-diazepan-1-yl)-N,N-dimethylacetamide
SMILESCC(=O)N1CCCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C11H21N3O2/c1-10(15)14-6-4-5-13(7-8-14)9-11(16)12(2)3/h4-9H2,1-3H3
InChIKeyUOVBKJPSGSJOEF-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.37
Rot. Bonds2

About 2-(4-acetyl-1,4-diazepan-1-yl)-N,N-dimethylacetamide

2-(4-acetyl-1,4-diazepan-1-yl)-N,N-dimethylacetamide (PubChem CID 60699636) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(4-acetyl-1,4-diazepan-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-acetyl-1,4-diazepan-1-yl)-N,N-dimethylacetamide
PubChem CID60699636
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-(4-acetyl-1,4-diazepan-1-yl)-N,N-dimethylacetamide
SMILESCC(=O)N1CCCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C11H21N3O2/c1-10(15)14-6-4-5-13(7-8-14)9-11(16)12(2)3/h4-9H2,1-3H3
InChIKeyUOVBKJPSGSJOEF-UHFFFAOYSA-N
XLogP-0.37
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-1-yl)-N,N-dimethylacetamide
CID 69256971
2-[4-(4-hydroxybutanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 79204679
2-[4-[2-(azetidin-3-ylidene)propanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 116676609
2-[4-(5-chloropentanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 60948570
N,N-dimethyl-2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 60963961
2-[4-(3-methoxy-2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 154751160
2-[4-[2-(aminomethyl)butanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 65227500
N,N-dimethyl-2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]acetamide;ethane
CID 142367549
2-[4-[2-(aminomethyl)pentanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 65227502
2-(4-acetyl-1,4-diazepan-1-yl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide
CID 27133312
4,7-bis(carboxymethyl)-10-[2-(dimethylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxylic acid
CID 20603350
N,N-dimethyl-2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 131905064

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-1,4-diazepan-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-acetyl-1,4-diazepan-1-yl)-N,N-dimethylacetamide (CID 60699636) is 2-(4-acetyl-1,4-diazepan-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-acetyl-1,4-diazepan-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-acetyl-1,4-diazepan-1-yl)-N,N-dimethylacetamide is CC(=O)N1CCCN(CC(=O)N(C)C)CC1.
What is the InChIKey of 2-(4-acetyl-1,4-diazepan-1-yl)-N,N-dimethylacetamide?
The InChIKey is UOVBKJPSGSJOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-10(15)14-6-4-5-13(7-8-14)9-11(16)12(2)3/h4-9H2,1-3H3.
What are the key properties of 2-(4-acetyl-1,4-diazepan-1-yl)-N,N-dimethylacetamide?
2-(4-acetyl-1,4-diazepan-1-yl)-N,N-dimethylacetamide has a molecular weight of 227.31 g/mol, XLogP of -0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-1,4-diazepan-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 60699636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).