2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide

C15H23N3O2 — CID 62839241

IUPAC2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
SMILESO=C(CN1CCCNCC1)NCCc1ccc(O)cc1
InChIInChI=1S/C15H23N3O2/c19-14-4-2-13(3-5-14)6-8-17-15(20)12-18-10-1-7-16-9-11-18/h2-5,16,19H,1,6-12H2,(H,17,20)
InChIKeyIJYJXMPRCWSTFE-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.35
Rot. Bonds5

About 2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide

2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide (PubChem CID 62839241) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
PubChem CID62839241
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
SMILESO=C(CN1CCCNCC1)NCCc1ccc(O)cc1
InChIInChI=1S/C15H23N3O2/c19-14-4-2-13(3-5-14)6-8-17-15(20)12-18-10-1-7-16-9-11-18/h2-5,16,19H,1,6-12H2,(H,17,20)
InChIKeyIJYJXMPRCWSTFE-UHFFFAOYSA-N
XLogP0.35
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 114332159
2-(1,4-diazepan-1-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 55123139
2-(1,4-diazepan-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide
CID 62832012
N-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride
CID 17221281
2-piperazin-1-yl-N-(2-pyridin-4-ylethyl)acetamide
CID 54943649
N-[2-(3-chlorophenyl)ethyl]-2-(1,4-diazepan-1-yl)acetamide
CID 43348758
2-(1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 80682467
2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 644372
2-(1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105029
N-[4-(4-hydroxyphenyl)butan-2-yl]-2-piperazin-1-ylacetamide
CID 60849315
N-[(4-cyanophenyl)methyl]-2-(1,4-diazepan-1-yl)acetamide
CID 62837229
N-(4-hydroxyphenyl)-2-piperazin-1-ylacetamide
CID 60850914

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide (CID 62839241) is 2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide is O=C(CN1CCCNCC1)NCCc1ccc(O)cc1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
The InChIKey is IJYJXMPRCWSTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-14-4-2-13(3-5-14)6-8-17-15(20)12-18-10-1-7-16-9-11-18/h2-5,16,19H,1,6-12H2,(H,17,20).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide?
2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide has a molecular weight of 277.37 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 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-(4-hydroxyphenyl)ethyl]acetamide is sourced from PubChem (CID 62839241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).