(3R,10R,11R)-3,11-diethyl-10-phenylmethoxy-1-azacyclotetradec-5-en-2-one

C24H37NO2 — CID 134846928

IUPAC(3R,10R,11R)-3,11-diethyl-10-phenylmethoxy-1-azacyclotetradec-5-en-2-one
SMILESCC[C@@H]1CC=CCCC[C@@H](OCc2ccccc2)[C@H](CC)CCCNC1=O
InChIInChI=1S/C24H37NO2/c1-3-21-16-12-18-25-24(26)22(4-2)15-10-5-6-11-17-23(21)27-19-20-13-8-7-9-14-20/h5,7-10,13-14,21-23H,3-4,6,11-12,15-19H2,1-2H3,(H,25,26)/t21-,22-,23-/m1/s1
InChIKeyMIJYPPLDTRWNSF-DNVJHFABSA-N
MW371.57 g/mol
LogP5.65
Rot. Bonds5

About (3R,10R,11R)-3,11-diethyl-10-phenylmethoxy-1-azacyclotetradec-5-en-2-one

(3R,10R,11R)-3,11-diethyl-10-phenylmethoxy-1-azacyclotetradec-5-en-2-one (PubChem CID 134846928) has the molecular formula C24H37NO2 and a molecular weight of 371.57 g/mol. Its IUPAC name is (3R,10R,11R)-3,11-diethyl-10-phenylmethoxy-1-azacyclotetradec-5-en-2-one.

Molecular Properties

Compound Name(3R,10R,11R)-3,11-diethyl-10-phenylmethoxy-1-azacyclotetradec-5-en-2-one
PubChem CID134846928
Molecular FormulaC24H37NO2
Molecular Weight371.57 g/mol
Exact Mass371.28
IUPAC Name(3R,10R,11R)-3,11-diethyl-10-phenylmethoxy-1-azacyclotetradec-5-en-2-one
SMILESCC[C@@H]1CC=CCCC[C@@H](OCc2ccccc2)[C@H](CC)CCCNC1=O
InChIInChI=1S/C24H37NO2/c1-3-21-16-12-18-25-24(26)22(4-2)15-10-5-6-11-17-23(21)27-19-20-13-8-7-9-14-20/h5,7-10,13-14,21-23H,3-4,6,11-12,15-19H2,1-2H3,(H,25,26)/t21-,22-,23-/m1/s1
InChIKeyMIJYPPLDTRWNSF-DNVJHFABSA-N
XLogP5.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,10R,11R)-3,11-diethyl-10-phenylmethoxy-1-azacyclotetradec-5-en-2-one?
The IUPAC name of (3R,10R,11R)-3,11-diethyl-10-phenylmethoxy-1-azacyclotetradec-5-en-2-one (CID 134846928) is (3R,10R,11R)-3,11-diethyl-10-phenylmethoxy-1-azacyclotetradec-5-en-2-one.
What is the SMILES notation for (3R,10R,11R)-3,11-diethyl-10-phenylmethoxy-1-azacyclotetradec-5-en-2-one?
The canonical SMILES for (3R,10R,11R)-3,11-diethyl-10-phenylmethoxy-1-azacyclotetradec-5-en-2-one is CC[C@@H]1CC=CCCC[C@@H](OCc2ccccc2)[C@H](CC)CCCNC1=O.
What is the InChIKey of (3R,10R,11R)-3,11-diethyl-10-phenylmethoxy-1-azacyclotetradec-5-en-2-one?
The InChIKey is MIJYPPLDTRWNSF-DNVJHFABSA-N. The full InChI is InChI=1S/C24H37NO2/c1-3-21-16-12-18-25-24(26)22(4-2)15-10-5-6-11-17-23(21)27-19-20-13-8-7-9-14-20/h5,7-10,13-14,21-23H,3-4,6,11-12,15-19H2,1-2H3,(H,25,26)/t21-,22-,23-/m1/s1.
What are the key properties of (3R,10R,11R)-3,11-diethyl-10-phenylmethoxy-1-azacyclotetradec-5-en-2-one?
(3R,10R,11R)-3,11-diethyl-10-phenylmethoxy-1-azacyclotetradec-5-en-2-one has a molecular weight of 371.57 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,10R,11R)-3,11-diethyl-10-phenylmethoxy-1-azacyclotetradec-5-en-2-one is sourced from PubChem (CID 134846928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).