ethyl 2-(7-carbamoyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate

C20H21NO3 — CID 67811989

IUPACethyl 2-(7-carbamoyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate
SMILESCCOC(=O)CC1c2ccccc2CCc2c(C(N)=O)cccc21
InChIInChI=1S/C20H21NO3/c1-2-24-19(22)12-18-14-7-4-3-6-13(14)10-11-16-15(18)8-5-9-17(16)20(21)23/h3-9,18H,2,10-12H2,1H3,(H2,21,23)
InChIKeyKMMIWGSLSXXKMK-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.97
Rot. Bonds4

About ethyl 2-(7-carbamoyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate

ethyl 2-(7-carbamoyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate (PubChem CID 67811989) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is ethyl 2-(7-carbamoyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-carbamoyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate
PubChem CID67811989
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Nameethyl 2-(7-carbamoyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate
SMILESCCOC(=O)CC1c2ccccc2CCc2c(C(N)=O)cccc21
InChIInChI=1S/C20H21NO3/c1-2-24-19(22)12-18-14-7-4-3-6-13(14)10-11-16-15(18)8-5-9-17(16)20(21)23/h3-9,18H,2,10-12H2,1H3,(H2,21,23)
InChIKeyKMMIWGSLSXXKMK-UHFFFAOYSA-N
XLogP2.97
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(7-carbamoyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate with MolForge

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Related Compounds

2-(7-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1-pyrrolidin-1-ylethanone
CID 70481101
ethyl 2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 10104359
butyl 2-(9,10-dihydroanthracen-9-yl)acetate
CID 162412897
methyl 2-(5,6-dimethoxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetate
CID 83985359
ethyl 2-(4-chloro-2,3-dihydro-1H-inden-1-yl)acetate
CID 23549532
(1R)-1-amino-2,3-dihydro-1H-indene-4-carboxamide
CID 130682508
ethyl 2-(1,3,4,5-tetrahydro-2-benzoxepin-5-yl)acetate
CID 165145663
1-fluoro-2,3-dihydro-1H-indene-4-carboxamide
CID 135337152
ethyl 2-[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]acetate
CID 94425197
5-amino-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 130044186
ethyl 2-(2,3-dihydro-1H-inden-1-yl)acetate;ethyl (E)-2-(2,3-dihydro-1H-inden-1-yl)-3-hydroxyprop-2-enoate
CID 161281738
methyl N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]carbamate
CID 70238152

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-carbamoyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate?
The IUPAC name of ethyl 2-(7-carbamoyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate (CID 67811989) is ethyl 2-(7-carbamoyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate.
What is the SMILES notation for ethyl 2-(7-carbamoyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate?
The canonical SMILES for ethyl 2-(7-carbamoyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate is CCOC(=O)CC1c2ccccc2CCc2c(C(N)=O)cccc21.
What is the InChIKey of ethyl 2-(7-carbamoyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate?
The InChIKey is KMMIWGSLSXXKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-2-24-19(22)12-18-14-7-4-3-6-13(14)10-11-16-15(18)8-5-9-17(16)20(21)23/h3-9,18H,2,10-12H2,1H3,(H2,21,23).
What are the key properties of ethyl 2-(7-carbamoyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate?
ethyl 2-(7-carbamoyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate has a molecular weight of 323.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-carbamoyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate is sourced from PubChem (CID 67811989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).