cyclooctyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium

C18H29N2O2+ — CID 9265502

IUPACcyclooctyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium
SMILESCOc1ccc(CNC(=O)C[NH2+]C2CCCCCCC2)cc1
InChIInChI=1S/C18H28N2O2/c1-22-17-11-9-15(10-12-17)13-20-18(21)14-19-16-7-5-3-2-4-6-8-16/h9-12,16,19H,2-8,13-14H2,1H3,(H,20,21)/p+1
InChIKeyQDYHCAWHEUSLLU-UHFFFAOYSA-O
MW305.44 g/mol
LogP1.99
Rot. Bonds6

About cyclooctyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium

cyclooctyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium (PubChem CID 9265502) has the molecular formula C18H29N2O2+ and a molecular weight of 305.44 g/mol. Its IUPAC name is cyclooctyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Namecyclooctyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium
PubChem CID9265502
Molecular FormulaC18H29N2O2+
Molecular Weight305.44 g/mol
Exact Mass305.22
IUPAC Namecyclooctyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium
SMILESCOc1ccc(CNC(=O)C[NH2+]C2CCCCCCC2)cc1
InChIInChI=1S/C18H28N2O2/c1-22-17-11-9-15(10-12-17)13-20-18(21)14-19-16-7-5-3-2-4-6-8-16/h9-12,16,19H,2-8,13-14H2,1H3,(H,20,21)/p+1
InChIKeyQDYHCAWHEUSLLU-UHFFFAOYSA-O
XLogP1.99
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
N-cyclohexyl-4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057667
3-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide
CID 108947043
2-[(2-tert-butylcyclohexyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 55698129
cyclopentyl-[(4-methoxyphenyl)methyl]azanium
CID 4742547
N-[(4-methoxyphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108941955
2-(4-methoxyphenyl)-N-[(1S,2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]cyclohexyl]acetamide
CID 1012646
N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583381
N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 58957123
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
2-(cyclopropylmethylamino)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753123

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium?
The IUPAC name of cyclooctyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium (CID 9265502) is cyclooctyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium.
What is the SMILES notation for cyclooctyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium?
The canonical SMILES for cyclooctyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium is COc1ccc(CNC(=O)C[NH2+]C2CCCCCCC2)cc1.
What is the InChIKey of cyclooctyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium?
The InChIKey is QDYHCAWHEUSLLU-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H28N2O2/c1-22-17-11-9-15(10-12-17)13-20-18(21)14-19-16-7-5-3-2-4-6-8-16/h9-12,16,19H,2-8,13-14H2,1H3,(H,20,21)/p+1.
What are the key properties of cyclooctyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium?
cyclooctyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium has a molecular weight of 305.44 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 9265502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).