N-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride

C15H28ClN3O2 — CID 119478869

IUPACN-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)CN2CCCCCCC2=O)CC1
InChIInChI=1S/C15H27N3O2.ClH/c16-12-6-8-13(9-7-12)17-14(19)11-18-10-4-2-1-3-5-15(18)20;/h12-13H,1-11,16H2,(H,17,19);1H
InChIKeyRBOYVYSJLDWYAQ-UHFFFAOYSA-N
MW317.86 g/mol
LogP1.59
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride

N-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride (PubChem CID 119478869) has the molecular formula C15H28ClN3O2 and a molecular weight of 317.86 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
PubChem CID119478869
Molecular FormulaC15H28ClN3O2
Molecular Weight317.86 g/mol
Exact Mass317.19
IUPAC NameN-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)CN2CCCCCCC2=O)CC1
InChIInChI=1S/C15H27N3O2.ClH/c16-12-6-8-13(9-7-12)17-14(19)11-18-10-4-2-1-3-5-15(18)20;/h12-13H,1-11,16H2,(H,17,19);1H
InChIKeyRBOYVYSJLDWYAQ-UHFFFAOYSA-N
XLogP1.59
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
3-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030936
2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide
CID 119451455
N-cyclopropyl-2-oxo-2-[2-[2-(2-oxoazocan-1-yl)acetyl]hydrazinyl]acetamide
CID 55756771
2-(2-oxopiperidin-1-yl)-N-piperidin-3-ylacetamide
CID 119427764
N-(4-aminocyclohexyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 119478713
N-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide
CID 119602522
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide
CID 104956817
ethyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]piperidine-1-carboxylate
CID 110689912
N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119621354
N-[(1R,2R)-2-aminocyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 93451570
N-(2-amino-1-cyclopropylethyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119617570

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride (CID 119478869) is N-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride is Cl.NC1CCC(NC(=O)CN2CCCCCCC2=O)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride?
The InChIKey is RBOYVYSJLDWYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.ClH/c16-12-6-8-13(9-7-12)17-14(19)11-18-10-4-2-1-3-5-15(18)20;/h12-13H,1-11,16H2,(H,17,19);1H.
What are the key properties of N-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride?
N-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119478869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).