N'-[(3-methoxyoxolan-2-yl)methyl]-N-[6-(methylamino)-6-oxohexyl]hexanediamide

C19H35N3O5 — CID 20614405

IUPACN'-[(3-methoxyoxolan-2-yl)methyl]-N-[6-(methylamino)-6-oxohexyl]hexanediamide
SMILESCNC(=O)CCCCCNC(=O)CCCCC(=O)NCC1OCCC1OC
InChIInChI=1S/C19H35N3O5/c1-20-17(23)8-4-3-7-12-21-18(24)9-5-6-10-19(25)22-14-16-15(26-2)11-13-27-16/h15-16H,3-14H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyKUIUCCMQGISEIO-UHFFFAOYSA-N
MW385.51 g/mol
LogP0.89
Rot. Bonds14

About N'-[(3-methoxyoxolan-2-yl)methyl]-N-[6-(methylamino)-6-oxohexyl]hexanediamide

N'-[(3-methoxyoxolan-2-yl)methyl]-N-[6-(methylamino)-6-oxohexyl]hexanediamide (PubChem CID 20614405) has the molecular formula C19H35N3O5 and a molecular weight of 385.51 g/mol. Its IUPAC name is N'-[(3-methoxyoxolan-2-yl)methyl]-N-[6-(methylamino)-6-oxohexyl]hexanediamide.

Molecular Properties

Compound NameN'-[(3-methoxyoxolan-2-yl)methyl]-N-[6-(methylamino)-6-oxohexyl]hexanediamide
PubChem CID20614405
Molecular FormulaC19H35N3O5
Molecular Weight385.51 g/mol
Exact Mass385.26
IUPAC NameN'-[(3-methoxyoxolan-2-yl)methyl]-N-[6-(methylamino)-6-oxohexyl]hexanediamide
SMILESCNC(=O)CCCCCNC(=O)CCCCC(=O)NCC1OCCC1OC
InChIInChI=1S/C19H35N3O5/c1-20-17(23)8-4-3-7-12-21-18(24)9-5-6-10-19(25)22-14-16-15(26-2)11-13-27-16/h15-16H,3-14H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyKUIUCCMQGISEIO-UHFFFAOYSA-N
XLogP0.89
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(3-methoxyoxolan-2-yl)methyl]-N-[6-(methylamino)-6-oxohexyl]hexanediamide?
The IUPAC name of N'-[(3-methoxyoxolan-2-yl)methyl]-N-[6-(methylamino)-6-oxohexyl]hexanediamide (CID 20614405) is N'-[(3-methoxyoxolan-2-yl)methyl]-N-[6-(methylamino)-6-oxohexyl]hexanediamide.
What is the SMILES notation for N'-[(3-methoxyoxolan-2-yl)methyl]-N-[6-(methylamino)-6-oxohexyl]hexanediamide?
The canonical SMILES for N'-[(3-methoxyoxolan-2-yl)methyl]-N-[6-(methylamino)-6-oxohexyl]hexanediamide is CNC(=O)CCCCCNC(=O)CCCCC(=O)NCC1OCCC1OC.
What is the InChIKey of N'-[(3-methoxyoxolan-2-yl)methyl]-N-[6-(methylamino)-6-oxohexyl]hexanediamide?
The InChIKey is KUIUCCMQGISEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O5/c1-20-17(23)8-4-3-7-12-21-18(24)9-5-6-10-19(25)22-14-16-15(26-2)11-13-27-16/h15-16H,3-14H2,1-2H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of N'-[(3-methoxyoxolan-2-yl)methyl]-N-[6-(methylamino)-6-oxohexyl]hexanediamide?
N'-[(3-methoxyoxolan-2-yl)methyl]-N-[6-(methylamino)-6-oxohexyl]hexanediamide has a molecular weight of 385.51 g/mol, XLogP of 0.89, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methoxyoxolan-2-yl)methyl]-N-[6-(methylamino)-6-oxohexyl]hexanediamide is sourced from PubChem (CID 20614405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).