N-[(4S,7S,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-2-methoxyacetamide

C26H39N3O6 — CID 54632980

IUPACN-[(4S,7S,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CCCC1)C[C@H](C)[C@H](OC)CN(C)C2=O
InChIInChI=1S/C26H39N3O6/c1-17-13-29(25(31)19-8-6-7-9-19)18(2)15-35-22-12-20(27-24(30)16-33-4)10-11-21(22)26(32)28(3)14-23(17)34-5/h10-12,17-19,23H,6-9,13-16H2,1-5H3,(H,27,30)/t17-,18-,23+/m0/s1
InChIKeyODEBYALMHVNZLV-IUKKYPGJSA-N
MW489.61 g/mol
LogP2.79
Rot. Bonds5

About N-[(4S,7S,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-2-methoxyacetamide

N-[(4S,7S,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-2-methoxyacetamide (PubChem CID 54632980) has the molecular formula C26H39N3O6 and a molecular weight of 489.61 g/mol. Its IUPAC name is N-[(4S,7S,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(4S,7S,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-2-methoxyacetamide
PubChem CID54632980
Molecular FormulaC26H39N3O6
Molecular Weight489.61 g/mol
Exact Mass489.28
IUPAC NameN-[(4S,7S,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CCCC1)C[C@H](C)[C@H](OC)CN(C)C2=O
InChIInChI=1S/C26H39N3O6/c1-17-13-29(25(31)19-8-6-7-9-19)18(2)15-35-22-12-20(27-24(30)16-33-4)10-11-21(22)26(32)28(3)14-23(17)34-5/h10-12,17-19,23H,6-9,13-16H2,1-5H3,(H,27,30)/t17-,18-,23+/m0/s1
InChIKeyODEBYALMHVNZLV-IUKKYPGJSA-N
XLogP2.79
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.61
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4S,7S,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-2-methoxyacetamide with MolForge

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Related Compounds

N-[(4S,7R,8R)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-2-methoxyacetamide
CID 54632981
N-[(4R,7R,8S)-5-(cyclohexanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-2-(dimethylamino)acetamide
CID 54634243
N-[(4S,7R,8S)-5-(cyclohexanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]acetamide
CID 54637429
N-[(4R,7R,8S)-5-(cyclohexanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]acetamide
CID 54637427
N-[(4R,7R,8S)-5-(cyclohexanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3,3,3-trifluoropropanamide
CID 134829419
N-[(4R,7R,8S)-5-(cyclopropanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-2-(dimethylamino)acetamide
CID 134829439
(4R,7S,8R)-8-methoxy-15-[(2-methoxyacetyl)amino]-4,7,10-trimethyl-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
CID 54632138
N-[(4R,7R,8S)-5-(2-cyclopropylacetyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-2-methoxyacetamide
CID 54632698
N-[(4S,7S,8R)-5-benzoyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-2-methoxyacetamide
CID 54634900
N-[(4R,7S,8R)-5-benzoyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-2-methoxyacetamide
CID 54634902
1-[(4R,7R,8R)-5-(cyclobutanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3-propylurea
CID 54637500
N-[(4R,7S,8R)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-2-methoxyacetamide
CID 54637111

Frequently Asked Questions

What is the IUPAC name of N-[(4S,7S,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-2-methoxyacetamide?
The IUPAC name of N-[(4S,7S,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-2-methoxyacetamide (CID 54632980) is N-[(4S,7S,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(4S,7S,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(4S,7S,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-2-methoxyacetamide is COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)C1CCCC1)C[C@H](C)[C@H](OC)CN(C)C2=O.
What is the InChIKey of N-[(4S,7S,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-2-methoxyacetamide?
The InChIKey is ODEBYALMHVNZLV-IUKKYPGJSA-N. The full InChI is InChI=1S/C26H39N3O6/c1-17-13-29(25(31)19-8-6-7-9-19)18(2)15-35-22-12-20(27-24(30)16-33-4)10-11-21(22)26(32)28(3)14-23(17)34-5/h10-12,17-19,23H,6-9,13-16H2,1-5H3,(H,27,30)/t17-,18-,23+/m0/s1.
What are the key properties of N-[(4S,7S,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-2-methoxyacetamide?
N-[(4S,7S,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-2-methoxyacetamide has a molecular weight of 489.61 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S,7S,8S)-5-(cyclopentanecarbonyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-2-methoxyacetamide is sourced from PubChem (CID 54632980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).