2-(1,4-diazepan-1-yl)-N-(3-ethoxyphenyl)acetamide

C15H23N3O2 — CID 62838844

IUPAC2-(1,4-diazepan-1-yl)-N-(3-ethoxyphenyl)acetamide
SMILESCCOc1cccc(NC(=O)CN2CCCNCC2)c1
InChIInChI=1S/C15H23N3O2/c1-2-20-14-6-3-5-13(11-14)17-15(19)12-18-9-4-7-16-8-10-18/h3,5-6,11,16H,2,4,7-10,12H2,1H3,(H,17,19)
InChIKeyJGMGOHBSUSUGAG-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.32
Rot. Bonds5

About 2-(1,4-diazepan-1-yl)-N-(3-ethoxyphenyl)acetamide

2-(1,4-diazepan-1-yl)-N-(3-ethoxyphenyl)acetamide (PubChem CID 62838844) 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-(3-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(3-ethoxyphenyl)acetamide
PubChem CID62838844
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(1,4-diazepan-1-yl)-N-(3-ethoxyphenyl)acetamide
SMILESCCOc1cccc(NC(=O)CN2CCCNCC2)c1
InChIInChI=1S/C15H23N3O2/c1-2-20-14-6-3-5-13(11-14)17-15(19)12-18-9-4-7-16-8-10-18/h3,5-6,11,16H,2,4,7-10,12H2,1H3,(H,17,19)
InChIKeyJGMGOHBSUSUGAG-UHFFFAOYSA-N
XLogP1.32
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperazin-1-yl-N-(3-propoxyphenyl)acetamide
CID 60851959
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-piperazin-1-ylacetamide
CID 60851602
2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 43348732
2-(1,4-diazepan-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 62838993
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 62839609
2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 54814501
2-(4-aminopiperidin-1-yl)-N-(3-propoxyphenyl)acetamide
CID 79322694
2-(1,4-diazepan-1-yl)-N-(3-nitrophenyl)acetamide
CID 62837178
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
N-[3-(dimethylamino)phenyl]-2-piperazin-1-ylacetamide
CID 115377065
N-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide
CID 54813456
2-(1,4-diazepan-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 62837342

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(3-ethoxyphenyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(3-ethoxyphenyl)acetamide (CID 62838844) is 2-(1,4-diazepan-1-yl)-N-(3-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(3-ethoxyphenyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(3-ethoxyphenyl)acetamide is CCOc1cccc(NC(=O)CN2CCCNCC2)c1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(3-ethoxyphenyl)acetamide?
The InChIKey is JGMGOHBSUSUGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-20-14-6-3-5-13(11-14)17-15(19)12-18-9-4-7-16-8-10-18/h3,5-6,11,16H,2,4,7-10,12H2,1H3,(H,17,19).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(3-ethoxyphenyl)acetamide?
2-(1,4-diazepan-1-yl)-N-(3-ethoxyphenyl)acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.32, 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-(3-ethoxyphenyl)acetamide is sourced from PubChem (CID 62838844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).