15-(cyclopropylmethyl)-5-ethyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene

C24H31NO2 — CID 133073491

IUPAC15-(cyclopropylmethyl)-5-ethyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene
SMILESCCc1ccc2c(c1)Cc1cccc(c1)CN(CC1CC1)CCOCCO2
InChIInChI=1S/C24H31NO2/c1-2-19-8-9-24-23(15-19)16-21-4-3-5-22(14-21)18-25(17-20-6-7-20)10-11-26-12-13-27-24/h3-5,8-9,14-15,20H,2,6-7,10-13,16-18H2,1H3
InChIKeyWDEYEUQOYJGGPC-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.46
Rot. Bonds3

About 15-(cyclopropylmethyl)-5-ethyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene

15-(cyclopropylmethyl)-5-ethyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene (PubChem CID 133073491) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 15-(cyclopropylmethyl)-5-ethyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene.

Molecular Properties

Compound Name15-(cyclopropylmethyl)-5-ethyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene
PubChem CID133073491
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name15-(cyclopropylmethyl)-5-ethyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene
SMILESCCc1ccc2c(c1)Cc1cccc(c1)CN(CC1CC1)CCOCCO2
InChIInChI=1S/C24H31NO2/c1-2-19-8-9-24-23(15-19)16-21-4-3-5-22(14-21)18-25(17-20-6-7-20)10-11-26-12-13-27-24/h3-5,8-9,14-15,20H,2,6-7,10-13,16-18H2,1H3
InChIKeyWDEYEUQOYJGGPC-UHFFFAOYSA-N
XLogP4.46
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-15-(oxan-4-yl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene
CID 133072840
15-(oxan-4-ylmethyl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxylic acid
CID 133079683
1-(5-ethyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-15-yl)-2-(3-methylphenyl)ethanone
CID 110069146
1-(5-ethyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-15-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 110069095
15-[(3,4-difluorophenyl)methyl]-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxylic acid
CID 155994854
7,21,29,43-tetraethyl-3,25-dimethyl-11,14,17,33,36,39-hexaoxa-3,25-diazapentacyclo[38.4.0.05,10.018,23.027,32]tetratetraconta-1(40),5(10),6,8,18(23),19,21,27(32),28,30,41,43-dodecaene
CID 101240085
(4-hydroxypiperidin-1-yl)-[15-(2-methylpropyl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-5-yl]methanone
CID 110072850
15-(pyridin-3-ylmethyl)-5-pyrimidin-5-yl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene
CID 133067561
1-[5-[(5-methyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-15-yl)methyl]-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-15-yl]-4-pyrazol-1-ylbutan-1-one
CID 155994359
[4-(2-hydroxyethyl)piperidin-1-yl]-[15-(2-methylpropyl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-5-yl]methanone
CID 110072862
N-[(4-ethoxyphenyl)methyl]-15-(2-methylpropyl)-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carboxamide
CID 110072462
2-[[15-(cyclopropylmethyl)-9-oxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene-5-carbonyl]-[(4-methylphenyl)methyl]amino]acetic acid
CID 110072737

Frequently Asked Questions

What is the IUPAC name of 15-(cyclopropylmethyl)-5-ethyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene?
The IUPAC name of 15-(cyclopropylmethyl)-5-ethyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene (CID 133073491) is 15-(cyclopropylmethyl)-5-ethyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene.
What is the SMILES notation for 15-(cyclopropylmethyl)-5-ethyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene?
The canonical SMILES for 15-(cyclopropylmethyl)-5-ethyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene is CCc1ccc2c(c1)Cc1cccc(c1)CN(CC1CC1)CCOCCO2.
What is the InChIKey of 15-(cyclopropylmethyl)-5-ethyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene?
The InChIKey is WDEYEUQOYJGGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-2-19-8-9-24-23(15-19)16-21-4-3-5-22(14-21)18-25(17-20-6-7-20)10-11-26-12-13-27-24/h3-5,8-9,14-15,20H,2,6-7,10-13,16-18H2,1H3.
What are the key properties of 15-(cyclopropylmethyl)-5-ethyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene?
15-(cyclopropylmethyl)-5-ethyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene has a molecular weight of 365.52 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(cyclopropylmethyl)-5-ethyl-9,12-dioxa-15-azatricyclo[15.3.1.03,8]henicosa-1(21),3(8),4,6,17,19-hexaene is sourced from PubChem (CID 133073491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).