7-N,16-N-di(propan-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide

C20H40N4O6 — CID 657689

IUPAC7-N,16-N-di(propan-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide
SMILESCC(C)NC(=O)N1CCOCCOCCN(C(=O)NC(C)C)CCOCCOCC1
InChIInChI=1S/C20H40N4O6/c1-17(2)21-19(25)23-5-9-27-13-15-29-11-7-24(20(26)22-18(3)4)8-12-30-16-14-28-10-6-23/h17-18H,5-16H2,1-4H3,(H,21,25)(H,22,26)
InChIKeySSHRUZDPSKKBGH-UHFFFAOYSA-N
MW432.56 g/mol
LogP0.91
Rot. Bonds2

About 7-N,16-N-di(propan-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide

7-N,16-N-di(propan-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide (PubChem CID 657689) has the molecular formula C20H40N4O6 and a molecular weight of 432.56 g/mol. Its IUPAC name is 7-N,16-N-di(propan-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide.

Molecular Properties

Compound Name7-N,16-N-di(propan-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide
PubChem CID657689
Molecular FormulaC20H40N4O6
Molecular Weight432.56 g/mol
Exact Mass432.29
IUPAC Name7-N,16-N-di(propan-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide
SMILESCC(C)NC(=O)N1CCOCCOCCN(C(=O)NC(C)C)CCOCCOCC1
InChIInChI=1S/C20H40N4O6/c1-17(2)21-19(25)23-5-9-27-13-15-29-11-7-24(20(26)22-18(3)4)8-12-30-16-14-28-10-6-23/h17-18H,5-16H2,1-4H3,(H,21,25)(H,22,26)
InChIKeySSHRUZDPSKKBGH-UHFFFAOYSA-N
XLogP0.91
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,N'-dibutyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide
CID 657534
N,N'-dibutyl-1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarboxamide
CID 657657
[2-Fluoro-3-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]urea
CID 142616032
3-[2-Fluoro-3-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]butyl]-1,1-dimethylurea
CID 156794466
3-[2-Fluoro-4-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-1,1-dimethylurea
CID 171646619
1-(2-Methoxyethyl)-1,3-di(propan-2-yl)urea
CID 13451874
1,3-Dihexyl-1-[1-[2-[2-[2-[hexyl(hexylcarbamoyl)amino]propoxy]ethoxy]ethoxy]propan-2-yl]urea
CID 20088873
1,3-Bis[1-(2-aminopropoxy)propan-2-yl]urea
CID 20663363
3-[3-(Dimethylazaniumyl)propylcarbamoylamino]propyl-methyl-(2-propoxyethyl)-propylazanium
CID 21306285
3-[3-(Dimethylamino)propylcarbamoylamino]propyl-methyl-(2-propoxyethyl)-propylazanium
CID 21306286
1-Butyl-3-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethyl]urea
CID 22381391
1-Propyl-3-[2-[2-[2-(propylcarbamoylamino)ethoxy]ethoxy]ethyl]urea
CID 22889505

Frequently Asked Questions

What is the IUPAC name of 7-N,16-N-di(propan-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide?
The IUPAC name of 7-N,16-N-di(propan-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide (CID 657689) is 7-N,16-N-di(propan-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide.
What is the SMILES notation for 7-N,16-N-di(propan-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide?
The canonical SMILES for 7-N,16-N-di(propan-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide is CC(C)NC(=O)N1CCOCCOCCN(C(=O)NC(C)C)CCOCCOCC1.
What is the InChIKey of 7-N,16-N-di(propan-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide?
The InChIKey is SSHRUZDPSKKBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O6/c1-17(2)21-19(25)23-5-9-27-13-15-29-11-7-24(20(26)22-18(3)4)8-12-30-16-14-28-10-6-23/h17-18H,5-16H2,1-4H3,(H,21,25)(H,22,26).
What are the key properties of 7-N,16-N-di(propan-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide?
7-N,16-N-di(propan-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide has a molecular weight of 432.56 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,16-N-di(propan-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxamide is sourced from PubChem (CID 657689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).