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

C25H38N4O5 — CID 134829439

IUPACN-[(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
SMILESCO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)CN(C)C)cc2OC[C@@H](C)N(C(=O)C2CC2)C[C@H]1C
InChIInChI=1S/C25H38N4O5/c1-16-12-29(24(31)18-7-8-18)17(2)15-34-21-11-19(26-23(30)14-27(3)4)9-10-20(21)25(32)28(5)13-22(16)33-6/h9-11,16-18,22H,7-8,12-15H2,1-6H3,(H,26,30)/t16-,17-,22-/m1/s1
InChIKeyCTPAMBPYAUXBJQ-DRSNIGMVSA-N
MW474.60 g/mol
LogP1.93
Rot. Bonds5

About 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

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 (PubChem CID 134829439) has the molecular formula C25H38N4O5 and a molecular weight of 474.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID134829439
Molecular FormulaC25H38N4O5
Molecular Weight474.60 g/mol
Exact Mass474.28
IUPAC NameN-[(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
SMILESCO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)CN(C)C)cc2OC[C@@H](C)N(C(=O)C2CC2)C[C@H]1C
InChIInChI=1S/C25H38N4O5/c1-16-12-29(24(31)18-7-8-18)17(2)15-34-21-11-19(26-23(30)14-27(3)4)9-10-20(21)25(32)28(5)13-22(16)33-6/h9-11,16-18,22H,7-8,12-15H2,1-6H3,(H,26,30)/t16-,17-,22-/m1/s1
InChIKeyCTPAMBPYAUXBJQ-DRSNIGMVSA-N
XLogP1.93
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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,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
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,8R)-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]benzamide
CID 54633046
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
1-[(4S,7R,8R)-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]-3-propylurea
CID 54637324
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-[(4S,7R,8S)-5-[2-(dimethylamino)acetyl]-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 54633169
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]methanesulfonamide
CID 54637065
1-[(4R,7R,8R)-5-[2-(dimethylamino)acetyl]-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-phenylurea
CID 54634905
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)CN(C)C)cc2OC[C@@H](C)N(C(=O)C2CC2)C[C@H]1C.
What is the InChIKey of 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?
The InChIKey is CTPAMBPYAUXBJQ-DRSNIGMVSA-N. The full InChI is InChI=1S/C25H38N4O5/c1-16-12-29(24(31)18-7-8-18)17(2)15-34-21-11-19(26-23(30)14-27(3)4)9-10-20(21)25(32)28(5)13-22(16)33-6/h9-11,16-18,22H,7-8,12-15H2,1-6H3,(H,26,30)/t16-,17-,22-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 474.60 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134829439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).