N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride

C18H34ClN3O2 — CID 119621354

IUPACN-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCCCCCC1=O)NCCNC1CCCCCC1
InChIInChI=1S/C18H33N3O2.ClH/c22-17(15-21-14-8-4-3-7-11-18(21)23)20-13-12-19-16-9-5-1-2-6-10-16;/h16,19H,1-15H2,(H,20,22);1H
InChIKeyVRQDBRXSRSNRNY-UHFFFAOYSA-N
MW359.94 g/mol
LogP2.63
Rot. Bonds6

About N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride

N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride (PubChem CID 119621354) has the molecular formula C18H34ClN3O2 and a molecular weight of 359.94 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
PubChem CID119621354
Molecular FormulaC18H34ClN3O2
Molecular Weight359.94 g/mol
Exact Mass359.23
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCCCCCC1=O)NCCNC1CCCCCC1
InChIInChI=1S/C18H33N3O2.ClH/c22-17(15-21-14-8-4-3-7-11-18(21)23)20-13-12-19-16-9-5-1-2-6-10-16;/h16,19H,1-15H2,(H,20,22);1H
InChIKeyVRQDBRXSRSNRNY-UHFFFAOYSA-N
XLogP2.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.94
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
CID 119621270
N-(2-hydroxyethyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43388932
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
2-[2-[[2-(2-oxoazocan-1-yl)acetyl]amino]ethylsulfanyl]acetic acid
CID 119241925
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
2-[[2-(2-oxoazocan-1-yl)acetyl]amino]acetic acid
CID 119171385
2-(2-oxoazepan-1-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511838
N-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119478869
2-[[2-(2-oxoazepan-1-yl)acetyl]amino]acetamide
CID 15308077
N-[2-(cycloheptylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide;hydrochloride
CID 119620644
1-(2-cyclohexyl-2-oxoethyl)azepan-2-one
CID 104751187
2-(2-oxoazepan-1-yl)-N-pyrrolidin-3-ylacetamide
CID 119451455

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride (CID 119621354) is N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride is Cl.O=C(CN1CCCCCCC1=O)NCCNC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride?
The InChIKey is VRQDBRXSRSNRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2.ClH/c22-17(15-21-14-8-4-3-7-11-18(21)23)20-13-12-19-16-9-5-1-2-6-10-16;/h16,19H,1-15H2,(H,20,22);1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride has a molecular weight of 359.94 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2-(2-oxoazocan-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119621354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).