N,N-dibenzyl-2-(6-methyl-1,4,8,11-tetraoxacyclotetradec-6-yl)acetamide

C27H37NO5 — CID 10004169

IUPACN,N-dibenzyl-2-(6-methyl-1,4,8,11-tetraoxacyclotetradec-6-yl)acetamide
SMILESCC1(CC(=O)N(Cc2ccccc2)Cc2ccccc2)COCCOCCCOCCOC1
InChIInChI=1S/C27H37NO5/c1-27(22-32-17-15-30-13-8-14-31-16-18-33-23-27)19-26(29)28(20-24-9-4-2-5-10-24)21-25-11-6-3-7-12-25/h2-7,9-12H,8,13-23H2,1H3
InChIKeyOVTJYHNOIGFXCG-UHFFFAOYSA-N
MW455.60 g/mol
LogP4.08
Rot. Bonds6

About N,N-dibenzyl-2-(6-methyl-1,4,8,11-tetraoxacyclotetradec-6-yl)acetamide

N,N-dibenzyl-2-(6-methyl-1,4,8,11-tetraoxacyclotetradec-6-yl)acetamide (PubChem CID 10004169) has the molecular formula C27H37NO5 and a molecular weight of 455.60 g/mol. Its IUPAC name is N,N-dibenzyl-2-(6-methyl-1,4,8,11-tetraoxacyclotetradec-6-yl)acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-(6-methyl-1,4,8,11-tetraoxacyclotetradec-6-yl)acetamide
PubChem CID10004169
Molecular FormulaC27H37NO5
Molecular Weight455.60 g/mol
Exact Mass455.27
IUPAC NameN,N-dibenzyl-2-(6-methyl-1,4,8,11-tetraoxacyclotetradec-6-yl)acetamide
SMILESCC1(CC(=O)N(Cc2ccccc2)Cc2ccccc2)COCCOCCCOCCOC1
InChIInChI=1S/C27H37NO5/c1-27(22-32-17-15-30-13-8-14-31-16-18-33-23-27)19-26(29)28(20-24-9-4-2-5-10-24)21-25-11-6-3-7-12-25/h2-7,9-12H,8,13-23H2,1H3
InChIKeyOVTJYHNOIGFXCG-UHFFFAOYSA-N
XLogP4.08
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(6-methyl-1,4,8,11-tetraoxacyclotetradec-6-yl)acetamide?
The IUPAC name of N,N-dibenzyl-2-(6-methyl-1,4,8,11-tetraoxacyclotetradec-6-yl)acetamide (CID 10004169) is N,N-dibenzyl-2-(6-methyl-1,4,8,11-tetraoxacyclotetradec-6-yl)acetamide.
What is the SMILES notation for N,N-dibenzyl-2-(6-methyl-1,4,8,11-tetraoxacyclotetradec-6-yl)acetamide?
The canonical SMILES for N,N-dibenzyl-2-(6-methyl-1,4,8,11-tetraoxacyclotetradec-6-yl)acetamide is CC1(CC(=O)N(Cc2ccccc2)Cc2ccccc2)COCCOCCCOCCOC1.
What is the InChIKey of N,N-dibenzyl-2-(6-methyl-1,4,8,11-tetraoxacyclotetradec-6-yl)acetamide?
The InChIKey is OVTJYHNOIGFXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO5/c1-27(22-32-17-15-30-13-8-14-31-16-18-33-23-27)19-26(29)28(20-24-9-4-2-5-10-24)21-25-11-6-3-7-12-25/h2-7,9-12H,8,13-23H2,1H3.
What are the key properties of N,N-dibenzyl-2-(6-methyl-1,4,8,11-tetraoxacyclotetradec-6-yl)acetamide?
N,N-dibenzyl-2-(6-methyl-1,4,8,11-tetraoxacyclotetradec-6-yl)acetamide has a molecular weight of 455.60 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(6-methyl-1,4,8,11-tetraoxacyclotetradec-6-yl)acetamide is sourced from PubChem (CID 10004169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).