methyl 2-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)acetate

C20H21NO3 — CID 169198288

IUPACmethyl 2-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)acetate
SMILESCOC(=O)CNC(=O)c1cc2ccc1CCc1ccc(cc1)CC2
InChIInChI=1S/C20H21NO3/c1-24-19(22)13-21-20(23)18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-12H,6-8,10,13H2,1H3,(H,21,23)
InChIKeyVZQVDRUVSNVPIR-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.47
Rot. Bonds3

About methyl 2-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)acetate

methyl 2-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)acetate (PubChem CID 169198288) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is methyl 2-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)acetate
PubChem CID169198288
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Namemethyl 2-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)acetate
SMILESCOC(=O)CNC(=O)c1cc2ccc1CCc1ccc(cc1)CC2
InChIInChI=1S/C20H21NO3/c1-24-19(22)13-21-20(23)18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-12H,6-8,10,13H2,1H3,(H,21,23)
InChIKeyVZQVDRUVSNVPIR-UHFFFAOYSA-N
XLogP2.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)acetate with MolForge

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Related Compounds

methyl 2-[[2-[2-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]benzoyl]amino]acetate
CID 23855602
methyl 2-[(2-benzoylbenzoyl)amino]acetate
CID 26586239
methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)acetate
CID 49192128
dimethyl tricyclo[16.2.2.28,11]tetracosa-1(20),8,10,18,21,23-hexaene-9,19-dicarboxylate
CID 44725366
methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate
CID 61291717
N-[4-[4-(3-chloro-2-methoxyphenyl)piperazin-1-yl]butyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carboxamide
CID 11678172
methyl 3-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-4-carboxylate
CID 70432942
methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate
CID 47190528
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 6469574
methyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate
CID 531421
methyl 2-(naphthalene-1-carbonylamino)acetate
CID 19789843
methyl 2-[(2,6-dihydroxybenzoyl)amino]acetate
CID 103890198

Frequently Asked Questions

What is the IUPAC name of methyl 2-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)acetate?
The IUPAC name of methyl 2-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)acetate (CID 169198288) is methyl 2-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)acetate.
What is the SMILES notation for methyl 2-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)acetate?
The canonical SMILES for methyl 2-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)acetate is COC(=O)CNC(=O)c1cc2ccc1CCc1ccc(cc1)CC2.
What is the InChIKey of methyl 2-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)acetate?
The InChIKey is VZQVDRUVSNVPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-24-19(22)13-21-20(23)18-12-16-7-6-14-2-4-15(5-3-14)8-10-17(18)11-9-16/h2-5,9,11-12H,6-8,10,13H2,1H3,(H,21,23).
What are the key properties of methyl 2-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)acetate?
methyl 2-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)acetate has a molecular weight of 323.39 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaene-5-carbonylamino)acetate is sourced from PubChem (CID 169198288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).