2-(1,4-diazepan-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide

C11H20F3N3O2 — CID 62837982

IUPAC2-(1,4-diazepan-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCCNCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c12-11(13,14)9-17(6-7-18)10(19)8-16-4-1-2-15-3-5-16/h15,18H,1-9H2
InChIKeyOOSXSQZMUSGQRI-UHFFFAOYSA-N
MW283.29 g/mol
LogP-0.34
Rot. Bonds5

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

2-(1,4-diazepan-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 62837982) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID62837982
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name2-(1,4-diazepan-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCCNCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c12-11(13,14)9-17(6-7-18)10(19)8-16-4-1-2-15-3-5-16/h15,18H,1-9H2
InChIKeyOOSXSQZMUSGQRI-UHFFFAOYSA-N
XLogP-0.34
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 62839218
2-(1,4-diazepan-1-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 62838345
2-(1,4-diazepan-1-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide
CID 62838165
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclotridec-1-yl]acetic acid
CID 143227014
N-(2-hydroxyethyl)-2-piperazin-1-yl-N-propan-2-ylacetamide
CID 60851591
2-(1,4-diazepan-1-yl)-N,N-di(propan-2-yl)acetamide;hydrochloride
CID 119906169
2-[[2-(1,4-diazepan-1-yl)acetyl]-methylamino]acetic acid
CID 62838348
2-(1,4-diazepan-1-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 62837072
N-(cyclobutylmethyl)-2-(1,4-diazepan-1-yl)-N-ethylacetamide
CID 107398558
2-(1,4,8,11-tetrazacyclotetradec-1-yl)acetyl fluoride
CID 102177637
3-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 103857392
N-(2-cyclohexylethyl)-N-methyl-2-piperazin-1-ylacetamide
CID 115171715

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 62837982) is 2-(1,4-diazepan-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CCCNCC1)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OOSXSQZMUSGQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c12-11(13,14)9-17(6-7-18)10(19)8-16-4-1-2-15-3-5-16/h15,18H,1-9H2.
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(1,4-diazepan-1-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 283.29 g/mol, XLogP of -0.34, 5 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-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 62837982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).