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

C11H20F3N3O2 — CID 55204644

IUPAC2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCCN(CCO)CC1)NCC(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c12-11(13,14)9-15-10(19)8-17-3-1-2-16(4-5-17)6-7-18/h18H,1-9H2,(H,15,19)
InChIKeyCNAFAQVRIACWQZ-UHFFFAOYSA-N
MW283.29 g/mol
LogP-0.34
Rot. Bonds5

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

2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55204644) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55204644
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCCN(CCO)CC1)NCC(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c12-11(13,14)9-15-10(19)8-17-3-1-2-16(4-5-17)6-7-18/h18H,1-9H2,(H,15,19)
InChIKeyCNAFAQVRIACWQZ-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

N-[3-[ethyl(2-hydroxyethyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 171073943
2-(1,4-diazepan-1-yl)-2-oxo-N-(2,2,2-trifluoroethyl)acetamide
CID 43145019
2-(1,4-diazepan-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 43162567
2-(butan-2-ylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 54874849
2-(cyclopropylmethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 54874862
2-amino-N-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]acetamide
CID 54874895
2-(1,4-diazepan-1-yl)-N-ethyl-2-oxo-N-(2,2,2-trifluoroethyl)acetamide
CID 55010051
2-(ethylamino)-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 55121486
3,3,3-Trifluoro-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propan-1-one
CID 55203684
2-[ethyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60685751
2-[bis(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60686227
2-[butyl(2-hydroxyethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60689235

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 55204644) is 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CCCN(CCO)CC1)NCC(F)(F)F.
What is the InChIKey of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CNAFAQVRIACWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c12-11(13,14)9-15-10(19)8-17-3-1-2-16(4-5-17)6-7-18/h18H,1-9H2,(H,15,19).
What are the key properties of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-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-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55204644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).