2-amino-1-(19-ethyl-7-tricyclo[12.2.2.26,9]icosa-1(17),6(20),7,9(19),14(18),15-hexaenyl)ethanone

C24H31NO — CID 170860587

IUPAC2-amino-1-(19-ethyl-7-tricyclo[12.2.2.26,9]icosa-1(17),6(20),7,9(19),14(18),15-hexaenyl)ethanone
SMILESCCc1cc2c(C(=O)CN)cc1CCCCc1ccc(cc1)CCCC2
InChIInChI=1S/C24H31NO/c1-2-20-15-22-10-6-4-8-19-13-11-18(12-14-19)7-3-5-9-21(20)16-23(22)24(26)17-25/h11-16H,2-10,17,25H2,1H3
InChIKeyUELGPDOSIOVZHY-UHFFFAOYSA-N
MW349.52 g/mol
LogP4.83
Rot. Bonds3

About 2-amino-1-(19-ethyl-7-tricyclo[12.2.2.26,9]icosa-1(17),6(20),7,9(19),14(18),15-hexaenyl)ethanone

2-amino-1-(19-ethyl-7-tricyclo[12.2.2.26,9]icosa-1(17),6(20),7,9(19),14(18),15-hexaenyl)ethanone (PubChem CID 170860587) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is 2-amino-1-(19-ethyl-7-tricyclo[12.2.2.26,9]icosa-1(17),6(20),7,9(19),14(18),15-hexaenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(19-ethyl-7-tricyclo[12.2.2.26,9]icosa-1(17),6(20),7,9(19),14(18),15-hexaenyl)ethanone
PubChem CID170860587
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC Name2-amino-1-(19-ethyl-7-tricyclo[12.2.2.26,9]icosa-1(17),6(20),7,9(19),14(18),15-hexaenyl)ethanone
SMILESCCc1cc2c(C(=O)CN)cc1CCCCc1ccc(cc1)CCCC2
InChIInChI=1S/C24H31NO/c1-2-20-15-22-10-6-4-8-19-13-11-18(12-14-19)7-3-5-9-21(20)16-23(22)24(26)17-25/h11-16H,2-10,17,25H2,1H3
InChIKeyUELGPDOSIOVZHY-UHFFFAOYSA-N
XLogP4.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-(19-ethyl-7-tricyclo[12.2.2.26,9]icosa-1(17),6(20),7,9(19),14(18),15-hexaenyl)ethanone with MolForge

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Related Compounds

1-(3-ethyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 165345844
2-amino-1-(2-ethyl-5-fluorophenyl)ethanone
CID 84768395
5-ethyl-1,2,3,4-tetrahydroanthracene
CID 141269354
2-amino-1-[5-(2-aminoacetyl)-2,4-dihydroxyphenyl]ethanone
CID 170860296
2-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 10657175
2-amino-1-(4-ethylphenyl)ethanone
CID 19427259
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
CID 10352535
3-amino-1-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)propan-1-one
CID 117371031
methyl bicyclo[6.2.2]dodeca-1(10),8,11-triene-9-carboxylate
CID 13082513
dimethyl tricyclo[16.2.2.28,11]tetracosa-1(20),8,10,18,21,23-hexaene-9,19-dicarboxylate
CID 44725366
3-O-ethyl 2-O-methyl 5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate
CID 10611493
methyl bicyclo[8.2.2]tetradeca-1(12),10,13-triene-11-carboxylate
CID 14957120

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(19-ethyl-7-tricyclo[12.2.2.26,9]icosa-1(17),6(20),7,9(19),14(18),15-hexaenyl)ethanone?
The IUPAC name of 2-amino-1-(19-ethyl-7-tricyclo[12.2.2.26,9]icosa-1(17),6(20),7,9(19),14(18),15-hexaenyl)ethanone (CID 170860587) is 2-amino-1-(19-ethyl-7-tricyclo[12.2.2.26,9]icosa-1(17),6(20),7,9(19),14(18),15-hexaenyl)ethanone.
What is the SMILES notation for 2-amino-1-(19-ethyl-7-tricyclo[12.2.2.26,9]icosa-1(17),6(20),7,9(19),14(18),15-hexaenyl)ethanone?
The canonical SMILES for 2-amino-1-(19-ethyl-7-tricyclo[12.2.2.26,9]icosa-1(17),6(20),7,9(19),14(18),15-hexaenyl)ethanone is CCc1cc2c(C(=O)CN)cc1CCCCc1ccc(cc1)CCCC2.
What is the InChIKey of 2-amino-1-(19-ethyl-7-tricyclo[12.2.2.26,9]icosa-1(17),6(20),7,9(19),14(18),15-hexaenyl)ethanone?
The InChIKey is UELGPDOSIOVZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO/c1-2-20-15-22-10-6-4-8-19-13-11-18(12-14-19)7-3-5-9-21(20)16-23(22)24(26)17-25/h11-16H,2-10,17,25H2,1H3.
What are the key properties of 2-amino-1-(19-ethyl-7-tricyclo[12.2.2.26,9]icosa-1(17),6(20),7,9(19),14(18),15-hexaenyl)ethanone?
2-amino-1-(19-ethyl-7-tricyclo[12.2.2.26,9]icosa-1(17),6(20),7,9(19),14(18),15-hexaenyl)ethanone has a molecular weight of 349.52 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(19-ethyl-7-tricyclo[12.2.2.26,9]icosa-1(17),6(20),7,9(19),14(18),15-hexaenyl)ethanone is sourced from PubChem (CID 170860587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).