2-(14,14-dimethyl-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-10-yl)-N-(oxan-4-yl)acetamide

C26H35N3O4 — CID 110070979

IUPAC2-(14,14-dimethyl-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-10-yl)-N-(oxan-4-yl)acetamide
SMILESCC1(C)CCCN(CC(=O)NC2CCOCC2)Cc2cccnc2Oc2ccccc2OC1
InChIInChI=1S/C26H35N3O4/c1-26(2)12-6-14-29(18-24(30)28-21-10-15-31-16-11-21)17-20-7-5-13-27-25(20)33-23-9-4-3-8-22(23)32-19-26/h3-5,7-9,13,21H,6,10-12,14-19H2,1-2H3,(H,28,30)
InChIKeyWMVJQWACDRGMIJ-UHFFFAOYSA-N
MW453.58 g/mol
LogP4.17
Rot. Bonds3

About 2-(14,14-dimethyl-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-10-yl)-N-(oxan-4-yl)acetamide

2-(14,14-dimethyl-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-10-yl)-N-(oxan-4-yl)acetamide (PubChem CID 110070979) has the molecular formula C26H35N3O4 and a molecular weight of 453.58 g/mol. Its IUPAC name is 2-(14,14-dimethyl-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-10-yl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(14,14-dimethyl-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-10-yl)-N-(oxan-4-yl)acetamide
PubChem CID110070979
Molecular FormulaC26H35N3O4
Molecular Weight453.58 g/mol
Exact Mass453.26
IUPAC Name2-(14,14-dimethyl-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-10-yl)-N-(oxan-4-yl)acetamide
SMILESCC1(C)CCCN(CC(=O)NC2CCOCC2)Cc2cccnc2Oc2ccccc2OC1
InChIInChI=1S/C26H35N3O4/c1-26(2)12-6-14-29(18-24(30)28-21-10-15-31-16-11-21)17-20-7-5-13-27-25(20)33-23-9-4-3-8-22(23)32-19-26/h3-5,7-9,13,21H,6,10-12,14-19H2,1-2H3,(H,28,30)
InChIKeyWMVJQWACDRGMIJ-UHFFFAOYSA-N
XLogP4.17
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(14,14-dimethyl-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-10-yl)-N-(oxan-4-yl)acetamide with MolForge

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Related Compounds

N-cyclopentyl-2-(2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl)acetamide
CID 110071121
2-(14,14-dimethyl-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-10-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 110070985
2-(14,14-dimethyl-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-10-yl)-N-(3-methoxyphenyl)acetamide
CID 110070994
2-(14,14-dimethyl-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-10-yl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 110070959
2-(14,14-dimethyl-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-10-yl)-N-[(4-pyridin-3-yloxyphenyl)methyl]acetamide
CID 110071007
N-(cyclopropylmethyl)-2-(2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl)acetamide
CID 175654818
2-(2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl)-N-[(2S)-1-hydroxypropan-2-yl]acetamide
CID 110071119
2-(2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-10-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 110070925
2-(2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
CID 175657154
[4-(14,14-dimethyl-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-10-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 110071971
2-(2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110071059
2-(2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 110071108

Frequently Asked Questions

What is the IUPAC name of 2-(14,14-dimethyl-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-10-yl)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(14,14-dimethyl-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-10-yl)-N-(oxan-4-yl)acetamide (CID 110070979) is 2-(14,14-dimethyl-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-10-yl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(14,14-dimethyl-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-10-yl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(14,14-dimethyl-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-10-yl)-N-(oxan-4-yl)acetamide is CC1(C)CCCN(CC(=O)NC2CCOCC2)Cc2cccnc2Oc2ccccc2OC1.
What is the InChIKey of 2-(14,14-dimethyl-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-10-yl)-N-(oxan-4-yl)acetamide?
The InChIKey is WMVJQWACDRGMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O4/c1-26(2)12-6-14-29(18-24(30)28-21-10-15-31-16-11-21)17-20-7-5-13-27-25(20)33-23-9-4-3-8-22(23)32-19-26/h3-5,7-9,13,21H,6,10-12,14-19H2,1-2H3,(H,28,30).
What are the key properties of 2-(14,14-dimethyl-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-10-yl)-N-(oxan-4-yl)acetamide?
2-(14,14-dimethyl-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-10-yl)-N-(oxan-4-yl)acetamide has a molecular weight of 453.58 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(14,14-dimethyl-2,16-dioxa-4,10-diazatricyclo[15.4.0.03,8]henicosa-1(21),3(8),4,6,17,19-hexaen-10-yl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 110070979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).