2-[(6R)-3,3-dimethyl-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-6-yl]-N-[(2S)-1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]acetamide

About 2-[(6R)-3,3-dimethyl-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-6-yl]-N-[(2S)-1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]acetamide

2-[(6R)-3,3-dimethyl-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-6-yl]-N-[(2S)-1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]acetamide (PubChem CID 6609506) has the molecular formula C32H42N2O6 and a molecular weight of 550.70 g/mol. Its IUPAC name is 2-[(6R)-3,3-dimethyl-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-6-yl]-N-[(2S)-1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name	2-[(6R)-3,3-dimethyl-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-6-yl]-N-[(2S)-1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]acetamide
PubChem CID	6609506
Molecular Formula	C32H42N2O6
Molecular Weight	550.70 g/mol
Exact Mass	550.30
IUPAC Name	2-[(6R)-3,3-dimethyl-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-6-yl]-N-[(2S)-1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]acetamide
SMILES	CC1(C)COC(=O)CCCCC=CC[C@H](CC(=O)N[C@H](CO)Cc2ccc(OCc3ccccc3)cc2)C(=O)N1
InChI	InChI=1S/C32H42N2O6/c1-32(2)23-40-30(37)14-10-5-3-4-9-13-26(31(38)34-32)20-29(36)33-27(21-35)19-24-15-17-28(18-16-24)39-22-25-11-7-6-8-12-25/h4,6-9,11-12,15-18,26-27,35H,3,5,10,13-14,19-23H2,1-2H3,(H,33,36)(H,34,38)/t26-,27+/m1/s1
InChIKey	LOQNLYOZCIYPGP-SXOMAYOGSA-N
XLogP	4.25
TPSA	113.96 Å²
H-Bond Donors	3
H-Bond Acceptors	6
Rotatable Bonds	9
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.70
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-3,3-dimethyl-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-6-yl]-N-[(2S)-1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]acetamide?

The IUPAC name of 2-[(6R)-3,3-dimethyl-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-6-yl]-N-[(2S)-1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]acetamide (CID 6609506) is 2-[(6R)-3,3-dimethyl-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-6-yl]-N-[(2S)-1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]acetamide.

What is the SMILES notation for 2-[(6R)-3,3-dimethyl-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-6-yl]-N-[(2S)-1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]acetamide?

The canonical SMILES for 2-[(6R)-3,3-dimethyl-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-6-yl]-N-[(2S)-1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]acetamide is CC1(C)COC(=O)CCCCC=CC[C@H](CC(=O)N[C@H](CO)Cc2ccc(OCc3ccccc3)cc2)C(=O)N1.

What is the InChIKey of 2-[(6R)-3,3-dimethyl-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-6-yl]-N-[(2S)-1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]acetamide?

The InChIKey is LOQNLYOZCIYPGP-SXOMAYOGSA-N. The full InChI is InChI=1S/C32H42N2O6/c1-32(2)23-40-30(37)14-10-5-3-4-9-13-26(31(38)34-32)20-29(36)33-27(21-35)19-24-15-17-28(18-16-24)39-22-25-11-7-6-8-12-25/h4,6-9,11-12,15-18,26-27,35H,3,5,10,13-14,19-23H2,1-2H3,(H,33,36)(H,34,38)/t26-,27+/m1/s1.

What are the key properties of 2-[(6R)-3,3-dimethyl-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-6-yl]-N-[(2S)-1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]acetamide?

2-[(6R)-3,3-dimethyl-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-6-yl]-N-[(2S)-1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]acetamide has a molecular weight of 550.70 g/mol, XLogP of 4.25, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6R)-3,3-dimethyl-5,14-dioxo-1-oxa-4-azacyclotetradec-8-en-6-yl]-N-[(2S)-1-hydroxy-3-(4-phenylmethoxyphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 6609506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).