2-[(3S,6R)-3-(cyclohexylmethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-6-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide

C23H38N2O6 — CID 6607842

IUPAC2-[(3S,6R)-3-(cyclohexylmethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-6-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
SMILESO=C(C[C@H]1CC=CCCC(=O)OC[C@H](CC2CCCCC2)NC1=O)NCCOCCO
InChIInChI=1S/C23H38N2O6/c26-12-14-30-13-11-24-21(27)16-19-9-5-2-6-10-22(28)31-17-20(25-23(19)29)15-18-7-3-1-4-8-18/h2,5,18-20,26H,1,3-4,6-17H2,(H,24,27)(H,25,29)/t19-,20+/m1/s1
InChIKeyFZYKAVAXOVGZOQ-UXHICEINSA-N
MW438.57 g/mol
LogP1.86
Rot. Bonds9

About 2-[(3S,6R)-3-(cyclohexylmethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-6-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide

2-[(3S,6R)-3-(cyclohexylmethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-6-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide (PubChem CID 6607842) has the molecular formula C23H38N2O6 and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-[(3S,6R)-3-(cyclohexylmethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-6-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3S,6R)-3-(cyclohexylmethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-6-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
PubChem CID6607842
Molecular FormulaC23H38N2O6
Molecular Weight438.57 g/mol
Exact Mass438.27
IUPAC Name2-[(3S,6R)-3-(cyclohexylmethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-6-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide
SMILESO=C(C[C@H]1CC=CCCC(=O)OC[C@H](CC2CCCCC2)NC1=O)NCCOCCO
InChIInChI=1S/C23H38N2O6/c26-12-14-30-13-11-24-21(27)16-19-9-5-2-6-10-22(28)31-17-20(25-23(19)29)15-18-7-3-1-4-8-18/h2,5,18-20,26H,1,3-4,6-17H2,(H,24,27)(H,25,29)/t19-,20+/m1/s1
InChIKeyFZYKAVAXOVGZOQ-UXHICEINSA-N
XLogP1.86
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(3S,6R)-3-(cyclohexylmethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-6-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,6R)-3-(cyclohexylmethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-6-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
The IUPAC name of 2-[(3S,6R)-3-(cyclohexylmethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-6-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide (CID 6607842) is 2-[(3S,6R)-3-(cyclohexylmethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-6-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide.
What is the SMILES notation for 2-[(3S,6R)-3-(cyclohexylmethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-6-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
The canonical SMILES for 2-[(3S,6R)-3-(cyclohexylmethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-6-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide is O=C(C[C@H]1CC=CCCC(=O)OC[C@H](CC2CCCCC2)NC1=O)NCCOCCO.
What is the InChIKey of 2-[(3S,6R)-3-(cyclohexylmethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-6-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
The InChIKey is FZYKAVAXOVGZOQ-UXHICEINSA-N. The full InChI is InChI=1S/C23H38N2O6/c26-12-14-30-13-11-24-21(27)16-19-9-5-2-6-10-22(28)31-17-20(25-23(19)29)15-18-7-3-1-4-8-18/h2,5,18-20,26H,1,3-4,6-17H2,(H,24,27)(H,25,29)/t19-,20+/m1/s1.
What are the key properties of 2-[(3S,6R)-3-(cyclohexylmethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-6-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide?
2-[(3S,6R)-3-(cyclohexylmethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-6-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide has a molecular weight of 438.57 g/mol, XLogP of 1.86, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,6R)-3-(cyclohexylmethyl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-6-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetamide is sourced from PubChem (CID 6607842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).