2-tricyclo[7.7.5.32,8]tetracosanyl N-[2-(dimethylamino)ethyl]carbamate

C29H54N2O2 — CID 139468482

IUPAC2-tricyclo[7.7.5.32,8]tetracosanyl N-[2-(dimethylamino)ethyl]carbamate
SMILESCN(C)CCNC(=O)OC12CCCCCC(CCC1)C1CCCCCCCC2CCCCC1
InChIInChI=1S/C29H54N2O2/c1-31(2)24-23-30-28(32)33-29-21-13-7-10-17-26(18-14-22-29)25-15-8-4-3-5-11-19-27(29)20-12-6-9-16-25/h25-27H,3-24H2,1-2H3,(H,30,32)
InChIKeyXEJQKSQTBJGHEJ-UHFFFAOYSA-N
MW462.76 g/mol
LogP7.70
Rot. Bonds4

About 2-tricyclo[7.7.5.32,8]tetracosanyl N-[2-(dimethylamino)ethyl]carbamate

2-tricyclo[7.7.5.32,8]tetracosanyl N-[2-(dimethylamino)ethyl]carbamate (PubChem CID 139468482) has the molecular formula C29H54N2O2 and a molecular weight of 462.76 g/mol. Its IUPAC name is 2-tricyclo[7.7.5.32,8]tetracosanyl N-[2-(dimethylamino)ethyl]carbamate.

Molecular Properties

Compound Name2-tricyclo[7.7.5.32,8]tetracosanyl N-[2-(dimethylamino)ethyl]carbamate
PubChem CID139468482
Molecular FormulaC29H54N2O2
Molecular Weight462.76 g/mol
Exact Mass462.42
IUPAC Name2-tricyclo[7.7.5.32,8]tetracosanyl N-[2-(dimethylamino)ethyl]carbamate
SMILESCN(C)CCNC(=O)OC12CCCCCC(CCC1)C1CCCCCCCC2CCCCC1
InChIInChI=1S/C29H54N2O2/c1-31(2)24-23-30-28(32)33-29-21-13-7-10-17-26(18-14-22-29)25-15-8-4-3-5-11-19-27(29)20-12-6-9-16-25/h25-27H,3-24H2,1-2H3,(H,30,32)
InChIKeyXEJQKSQTBJGHEJ-UHFFFAOYSA-N
XLogP7.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.76
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tricyclo[7.7.5.32,8]tetracosanyl N-[2-(dimethylamino)ethyl]carbamate?
The IUPAC name of 2-tricyclo[7.7.5.32,8]tetracosanyl N-[2-(dimethylamino)ethyl]carbamate (CID 139468482) is 2-tricyclo[7.7.5.32,8]tetracosanyl N-[2-(dimethylamino)ethyl]carbamate.
What is the SMILES notation for 2-tricyclo[7.7.5.32,8]tetracosanyl N-[2-(dimethylamino)ethyl]carbamate?
The canonical SMILES for 2-tricyclo[7.7.5.32,8]tetracosanyl N-[2-(dimethylamino)ethyl]carbamate is CN(C)CCNC(=O)OC12CCCCCC(CCC1)C1CCCCCCCC2CCCCC1.
What is the InChIKey of 2-tricyclo[7.7.5.32,8]tetracosanyl N-[2-(dimethylamino)ethyl]carbamate?
The InChIKey is XEJQKSQTBJGHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H54N2O2/c1-31(2)24-23-30-28(32)33-29-21-13-7-10-17-26(18-14-22-29)25-15-8-4-3-5-11-19-27(29)20-12-6-9-16-25/h25-27H,3-24H2,1-2H3,(H,30,32).
What are the key properties of 2-tricyclo[7.7.5.32,8]tetracosanyl N-[2-(dimethylamino)ethyl]carbamate?
2-tricyclo[7.7.5.32,8]tetracosanyl N-[2-(dimethylamino)ethyl]carbamate has a molecular weight of 462.76 g/mol, XLogP of 7.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tricyclo[7.7.5.32,8]tetracosanyl N-[2-(dimethylamino)ethyl]carbamate is sourced from PubChem (CID 139468482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).