methyl 2-cyclooctyl-2-[(2-pyridin-4-ylacetyl)amino]acetate

C18H26N2O3 — CID 146524756

IUPACmethyl 2-cyclooctyl-2-[(2-pyridin-4-ylacetyl)amino]acetate
SMILESCOC(=O)C(NC(=O)Cc1ccncc1)C1CCCCCCC1
InChIInChI=1S/C18H26N2O3/c1-23-18(22)17(15-7-5-3-2-4-6-8-15)20-16(21)13-14-9-11-19-12-10-14/h9-12,15,17H,2-8,13H2,1H3,(H,20,21)
InChIKeyNXICKYVTFMBUNI-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.64
Rot. Bonds5

About methyl 2-cyclooctyl-2-[(2-pyridin-4-ylacetyl)amino]acetate

methyl 2-cyclooctyl-2-[(2-pyridin-4-ylacetyl)amino]acetate (PubChem CID 146524756) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is methyl 2-cyclooctyl-2-[(2-pyridin-4-ylacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-cyclooctyl-2-[(2-pyridin-4-ylacetyl)amino]acetate
PubChem CID146524756
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Namemethyl 2-cyclooctyl-2-[(2-pyridin-4-ylacetyl)amino]acetate
SMILESCOC(=O)C(NC(=O)Cc1ccncc1)C1CCCCCCC1
InChIInChI=1S/C18H26N2O3/c1-23-18(22)17(15-7-5-3-2-4-6-8-15)20-16(21)13-14-9-11-19-12-10-14/h9-12,15,17H,2-8,13H2,1H3,(H,20,21)
InChIKeyNXICKYVTFMBUNI-UHFFFAOYSA-N
XLogP2.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-pyridin-4-ylacetamide
CID 122136273
methyl (2S)-2-cycloheptyl-2-[(2-ethylpyrazole-3-carbonyl)amino]acetate
CID 170982661
2-(4-aminophenyl)-N-(3-cyclohexylbutan-2-yl)acetamide;hydrochloride
CID 119809026
methyl 2-phenyl-2-[(2-pyridin-4-ylacetyl)amino]acetate
CID 62109189
methyl 2-cyclohexyl-2-[[3-(4-hydroxyphenyl)-2-methylpropanoyl]amino]acetate
CID 91596177
methyl 2-methyl-3-oxo-4-pyridin-4-ylbutanoate
CID 62551773
methyl (2S)-2-[[(2S)-2-amino-2-cyclohexylacetyl]amino]-2-cyclohexylacetate
CID 70702377
methyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate
CID 103960996
benzyl (3S)-3-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-4-methylpentanoate
CID 59137199
N-[1-(3-hydroxycyclobutyl)propyl]-2-pyridin-4-ylacetamide
CID 91781242
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-thiophen-3-ylacetamide
CID 61123402
1-cyclopentyl-2-pyridin-4-ylethanone
CID 62551395

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclooctyl-2-[(2-pyridin-4-ylacetyl)amino]acetate?
The IUPAC name of methyl 2-cyclooctyl-2-[(2-pyridin-4-ylacetyl)amino]acetate (CID 146524756) is methyl 2-cyclooctyl-2-[(2-pyridin-4-ylacetyl)amino]acetate.
What is the SMILES notation for methyl 2-cyclooctyl-2-[(2-pyridin-4-ylacetyl)amino]acetate?
The canonical SMILES for methyl 2-cyclooctyl-2-[(2-pyridin-4-ylacetyl)amino]acetate is COC(=O)C(NC(=O)Cc1ccncc1)C1CCCCCCC1.
What is the InChIKey of methyl 2-cyclooctyl-2-[(2-pyridin-4-ylacetyl)amino]acetate?
The InChIKey is NXICKYVTFMBUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-23-18(22)17(15-7-5-3-2-4-6-8-15)20-16(21)13-14-9-11-19-12-10-14/h9-12,15,17H,2-8,13H2,1H3,(H,20,21).
What are the key properties of methyl 2-cyclooctyl-2-[(2-pyridin-4-ylacetyl)amino]acetate?
methyl 2-cyclooctyl-2-[(2-pyridin-4-ylacetyl)amino]acetate has a molecular weight of 318.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclooctyl-2-[(2-pyridin-4-ylacetyl)amino]acetate is sourced from PubChem (CID 146524756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).