(3R,7S,10R,14S)-7,14-dimethoxy-3,10-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane

C24H34N2O4 — CID 24741570

IUPAC(3R,7S,10R,14S)-7,14-dimethoxy-3,10-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane
SMILESCO[C@@H]1CCN[C@H](c2ccccc2)CO[C@H](OC)CCN[C@H](c2ccccc2)CO1
InChIInChI=1S/C24H34N2O4/c1-27-23-13-15-25-22(20-11-7-4-8-12-20)18-30-24(28-2)14-16-26-21(17-29-23)19-9-5-3-6-10-19/h3-12,21-26H,13-18H2,1-2H3/t21-,22-,23-,24-/m0/s1
InChIKeyQLYNZCUYZXYAPW-ZJZGAYNASA-N
MW414.55 g/mol
LogP3.42
Rot. Bonds4

About (3R,7S,10R,14S)-7,14-dimethoxy-3,10-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane

(3R,7S,10R,14S)-7,14-dimethoxy-3,10-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane (PubChem CID 24741570) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is (3R,7S,10R,14S)-7,14-dimethoxy-3,10-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane.

Molecular Properties

Compound Name(3R,7S,10R,14S)-7,14-dimethoxy-3,10-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane
PubChem CID24741570
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC Name(3R,7S,10R,14S)-7,14-dimethoxy-3,10-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane
SMILESCO[C@@H]1CCN[C@H](c2ccccc2)CO[C@H](OC)CCN[C@H](c2ccccc2)CO1
InChIInChI=1S/C24H34N2O4/c1-27-23-13-15-25-22(20-11-7-4-8-12-20)18-30-24(28-2)14-16-26-21(17-29-23)19-9-5-3-6-10-19/h3-12,21-26H,13-18H2,1-2H3/t21-,22-,23-,24-/m0/s1
InChIKeyQLYNZCUYZXYAPW-ZJZGAYNASA-N
XLogP3.42
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,7S,10R,14S)-7,14-dimethoxy-3,10-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,7S,10R,14S)-7,14-dimethoxy-3,10-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane?
The IUPAC name of (3R,7S,10R,14S)-7,14-dimethoxy-3,10-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane (CID 24741570) is (3R,7S,10R,14S)-7,14-dimethoxy-3,10-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane.
What is the SMILES notation for (3R,7S,10R,14S)-7,14-dimethoxy-3,10-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane?
The canonical SMILES for (3R,7S,10R,14S)-7,14-dimethoxy-3,10-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane is CO[C@@H]1CCN[C@H](c2ccccc2)CO[C@H](OC)CCN[C@H](c2ccccc2)CO1.
What is the InChIKey of (3R,7S,10R,14S)-7,14-dimethoxy-3,10-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane?
The InChIKey is QLYNZCUYZXYAPW-ZJZGAYNASA-N. The full InChI is InChI=1S/C24H34N2O4/c1-27-23-13-15-25-22(20-11-7-4-8-12-20)18-30-24(28-2)14-16-26-21(17-29-23)19-9-5-3-6-10-19/h3-12,21-26H,13-18H2,1-2H3/t21-,22-,23-,24-/m0/s1.
What are the key properties of (3R,7S,10R,14S)-7,14-dimethoxy-3,10-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane?
(3R,7S,10R,14S)-7,14-dimethoxy-3,10-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane has a molecular weight of 414.55 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7S,10R,14S)-7,14-dimethoxy-3,10-diphenyl-1,8-dioxa-4,11-diazacyclotetradecane is sourced from PubChem (CID 24741570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).