1-(4-ethylphenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone

C17H26N2O2 — CID 107223659

IUPAC1-(4-ethylphenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
SMILESCCc1ccc(C(=O)CN2CCCN(CCO)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-2-15-4-6-16(7-5-15)17(21)14-19-9-3-8-18(10-11-19)12-13-20/h4-7,20H,2-3,8-14H2,1H3
InChIKeyALBCBLKBSLFWLA-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.43
Rot. Bonds6

About 1-(4-ethylphenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone

1-(4-ethylphenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone (PubChem CID 107223659) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
PubChem CID107223659
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(4-ethylphenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
SMILESCCc1ccc(C(=O)CN2CCCN(CCO)CC2)cc1
InChIInChI=1S/C17H26N2O2/c1-2-15-4-6-16(7-5-15)17(21)14-19-9-3-8-18(10-11-19)12-13-20/h4-7,20H,2-3,8-14H2,1H3
InChIKeyALBCBLKBSLFWLA-UHFFFAOYSA-N
XLogP1.43
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219356
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-propylphenyl)ethanone
CID 62024063
1-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 107223613
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone
CID 3328297
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-hydroxyphenyl)ethanone
CID 60680749
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 62025523
1-(3,4-dichlorophenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 107223621
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-(3-methylphenyl)ethanone
CID 107223640
1-(4-ethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836545
1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219358
4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]benzonitrile
CID 62025688
2-(3-aminopiperidin-1-yl)-1-(4-ethylphenyl)ethanone
CID 62036122

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 1-(4-ethylphenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone (CID 107223659) is 1-(4-ethylphenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 1-(4-ethylphenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone is CCc1ccc(C(=O)CN2CCCN(CCO)CC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone?
The InChIKey is ALBCBLKBSLFWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-15-4-6-16(7-5-15)17(21)14-19-9-3-8-18(10-11-19)12-13-20/h4-7,20H,2-3,8-14H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone?
1-(4-ethylphenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone has a molecular weight of 290.41 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 107223659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).