14-butan-2-yl-10,18-dimethoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene

C24H25NO2 — CID 22085729

IUPAC14-butan-2-yl-10,18-dimethoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
SMILESCCC(C)N1c2ccc(OC)cc2-c2ccccc2-c2cc(OC)ccc21
InChIInChI=1S/C24H25NO2/c1-5-16(2)25-23-12-10-17(26-3)14-21(23)19-8-6-7-9-20(19)22-15-18(27-4)11-13-24(22)25/h6-16H,5H2,1-4H3
InChIKeyYZDCOWBXHTTWRI-UHFFFAOYSA-N
MW359.47 g/mol
LogP6.29
Rot. Bonds4

About 14-butan-2-yl-10,18-dimethoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene

14-butan-2-yl-10,18-dimethoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene (PubChem CID 22085729) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 14-butan-2-yl-10,18-dimethoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene.

Molecular Properties

Compound Name14-butan-2-yl-10,18-dimethoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
PubChem CID22085729
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name14-butan-2-yl-10,18-dimethoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
SMILESCCC(C)N1c2ccc(OC)cc2-c2ccccc2-c2cc(OC)ccc21
InChIInChI=1S/C24H25NO2/c1-5-16(2)25-23-12-10-17(26-3)14-21(23)19-8-6-7-9-20(19)22-15-18(27-4)11-13-24(22)25/h6-16H,5H2,1-4H3
InChIKeyYZDCOWBXHTTWRI-UHFFFAOYSA-N
XLogP6.29
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 14-butan-2-yl-10,18-dimethoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene with MolForge

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Related Compounds

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1-[2-(2,4-dimethoxyphenyl)phenyl]-N-ethylethanamine
CID 61033910
2-[4-(3-methoxyphenyl)butan-2-yl]isoindole-1,3-dione
CID 67696129
1-fluoro-4-methoxy-2-(2-methoxyphenyl)benzene
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4-methoxy-2-phenyl-1-propan-2-ylbenzene
CID 118344819
2-(2,5-dimethoxyphenyl)-7-methoxycyclohepta-2,4,6-trien-1-one
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CID 148892654
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Frequently Asked Questions

What is the IUPAC name of 14-butan-2-yl-10,18-dimethoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene?
The IUPAC name of 14-butan-2-yl-10,18-dimethoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene (CID 22085729) is 14-butan-2-yl-10,18-dimethoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene.
What is the SMILES notation for 14-butan-2-yl-10,18-dimethoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene?
The canonical SMILES for 14-butan-2-yl-10,18-dimethoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene is CCC(C)N1c2ccc(OC)cc2-c2ccccc2-c2cc(OC)ccc21.
What is the InChIKey of 14-butan-2-yl-10,18-dimethoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene?
The InChIKey is YZDCOWBXHTTWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-5-16(2)25-23-12-10-17(26-3)14-21(23)19-8-6-7-9-20(19)22-15-18(27-4)11-13-24(22)25/h6-16H,5H2,1-4H3.
What are the key properties of 14-butan-2-yl-10,18-dimethoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene?
14-butan-2-yl-10,18-dimethoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene has a molecular weight of 359.47 g/mol, XLogP of 6.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-butan-2-yl-10,18-dimethoxy-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene is sourced from PubChem (CID 22085729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).