28-oxa-21-azaheptacyclo[18.8.0.02,10.03,8.011,19.012,17.022,27]octacosane

C26H41NO — CID 174814413

IUPAC28-oxa-21-azaheptacyclo[18.8.0.02,10.03,8.011,19.012,17.022,27]octacosane
SMILESC1CCC2C(C1)CC1C3NC4CCCCC4OC3C3C4CCCCC4CC3C21
InChIInChI=1S/C26H41NO/c1-3-9-17-16(8-1)14-20-23(17)19-13-15-7-2-4-10-18(15)24(19)26-25(20)27-21-11-5-6-12-22(21)28-26/h15-27H,1-14H2
InChIKeySIFTVVDCKBKXET-UHFFFAOYSA-N
MW383.62 g/mol
LogP5.55
Rot. Bonds

About 28-oxa-21-azaheptacyclo[18.8.0.02,10.03,8.011,19.012,17.022,27]octacosane

28-oxa-21-azaheptacyclo[18.8.0.02,10.03,8.011,19.012,17.022,27]octacosane (PubChem CID 174814413) has the molecular formula C26H41NO and a molecular weight of 383.62 g/mol. Its IUPAC name is 28-oxa-21-azaheptacyclo[18.8.0.02,10.03,8.011,19.012,17.022,27]octacosane.

Molecular Properties

Compound Name28-oxa-21-azaheptacyclo[18.8.0.02,10.03,8.011,19.012,17.022,27]octacosane
PubChem CID174814413
Molecular FormulaC26H41NO
Molecular Weight383.62 g/mol
Exact Mass383.32
IUPAC Name28-oxa-21-azaheptacyclo[18.8.0.02,10.03,8.011,19.012,17.022,27]octacosane
SMILESC1CCC2C(C1)CC1C3NC4CCCCC4OC3C3C4CCCCC4CC3C21
InChIInChI=1S/C26H41NO/c1-3-9-17-16(8-1)14-20-23(17)19-13-15-7-2-4-10-18(15)24(19)26-25(20)27-21-11-5-6-12-22(21)28-26/h15-27H,1-14H2
InChIKeySIFTVVDCKBKXET-UHFFFAOYSA-N
XLogP5.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.62
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 28-oxa-21-azaheptacyclo[18.8.0.02,10.03,8.011,19.012,17.022,27]octacosane with MolForge

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Related Compounds

11-oxatetracyclo[7.5.0.02,7.010,12]tetradecane
CID 141144427
4-cyclohexyl-2-(5-cyclohexyl-1,2,3,4,4a,5,6,6a,7a,8,9,10,11,11a,11b,11c-hexadecahydronaphtho[2,1-b][1]benzofuran-8-yl)-2,3,4,4a,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-indeno[1,2-d]pyrimidine
CID 167402245
9-[4-[4-(3-cyclohexylpropyl)cyclohexyl]cyclohexyl]-20-oxa-8-azapentacyclo[11.7.0.02,10.03,7.014,19]icosane
CID 144990097
7-hydroxy-17,24-dioxa-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.018,23]tetracosane-12,14-dione
CID 85108995
3,21-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosane
CID 59063341
tetracyclo[9.2.1.02,10.03,8]tetradecane
CID 6850833
4-cyclohexyl-2-[5-(3-cyclohexylcyclohexyl)-1,2,3,4,4a,5,6,6a,7a,8,9,10,11,11a,11b,11c-hexadecahydronaphtho[2,1-b][1]benzofuran-8-yl]-2,3,4,4a,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-indeno[1,2-d]pyrimidine
CID 167402673
12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosane
CID 147420295
2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole
CID 164705933
4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(8-cyclohexyl-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11a,11b-hexadecahydronaphtho[1,2-b][1]benzofuran-5-yl)-2,3,4,4a,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-indeno[1,2-d]pyrimidine
CID 167402028
2-[8-(2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluoren-9-yl)-1,2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11a,11b-hexadecahydronaphtho[1,2-b][1]benzofuran-5-yl]-4,6-dicyclohexyl-1,3,5-triazinane
CID 167402747
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972

Frequently Asked Questions

What is the IUPAC name of 28-oxa-21-azaheptacyclo[18.8.0.02,10.03,8.011,19.012,17.022,27]octacosane?
The IUPAC name of 28-oxa-21-azaheptacyclo[18.8.0.02,10.03,8.011,19.012,17.022,27]octacosane (CID 174814413) is 28-oxa-21-azaheptacyclo[18.8.0.02,10.03,8.011,19.012,17.022,27]octacosane.
What is the SMILES notation for 28-oxa-21-azaheptacyclo[18.8.0.02,10.03,8.011,19.012,17.022,27]octacosane?
The canonical SMILES for 28-oxa-21-azaheptacyclo[18.8.0.02,10.03,8.011,19.012,17.022,27]octacosane is C1CCC2C(C1)CC1C3NC4CCCCC4OC3C3C4CCCCC4CC3C21.
What is the InChIKey of 28-oxa-21-azaheptacyclo[18.8.0.02,10.03,8.011,19.012,17.022,27]octacosane?
The InChIKey is SIFTVVDCKBKXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41NO/c1-3-9-17-16(8-1)14-20-23(17)19-13-15-7-2-4-10-18(15)24(19)26-25(20)27-21-11-5-6-12-22(21)28-26/h15-27H,1-14H2.
What are the key properties of 28-oxa-21-azaheptacyclo[18.8.0.02,10.03,8.011,19.012,17.022,27]octacosane?
28-oxa-21-azaheptacyclo[18.8.0.02,10.03,8.011,19.012,17.022,27]octacosane has a molecular weight of 383.62 g/mol, XLogP of 5.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 28-oxa-21-azaheptacyclo[18.8.0.02,10.03,8.011,19.012,17.022,27]octacosane is sourced from PubChem (CID 174814413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).