(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

C24H38N4O6 — CID 54632138

IUPAC(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
SMILESCOCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)NC(C)C)C[C@H](C)[C@@H](OC)CN(C)C2=O
InChIInChI=1S/C24H38N4O6/c1-15(2)25-24(31)28-11-16(3)21(33-7)12-27(5)23(30)19-9-8-18(26-22(29)14-32-6)10-20(19)34-13-17(28)4/h8-10,15-17,21H,11-14H2,1-7H3,(H,25,31)(H,26,29)/t16-,17+,21-/m0/s1
InChIKeyAOOMHDUDPOWWMY-FVJLSDCUSA-N
MW478.59 g/mol
LogP2.20
Rot. Bonds5

About (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

(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 (PubChem CID 54632138) has the molecular formula C24H38N4O6 and a molecular weight of 478.59 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID54632138
Molecular FormulaC24H38N4O6
Molecular Weight478.59 g/mol
Exact Mass478.28
IUPAC Name(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
SMILESCOCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)NC(C)C)C[C@H](C)[C@@H](OC)CN(C)C2=O
InChIInChI=1S/C24H38N4O6/c1-15(2)25-24(31)28-11-16(3)21(33-7)12-27(5)23(30)19-9-8-18(26-22(29)14-32-6)10-20(19)34-13-17(28)4/h8-10,15-17,21H,11-14H2,1-7H3,(H,25,31)(H,26,29)/t16-,17+,21-/m0/s1
InChIKeyAOOMHDUDPOWWMY-FVJLSDCUSA-N
XLogP2.20
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

1-[(4R,7R,8S)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]-3-propan-2-ylurea
CID 54633526
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,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
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,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-[(4R,7R,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide
CID 54633249
(4S,7S,8S)-15-(methanesulfonamido)-8-methoxy-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 54634512
2-methoxy-N-[(4S,7S,8R)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide
CID 54634301
2-methoxy-N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]acetamide
CID 54634453
1-[(4R,7R,8S)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
CID 54634659
1-[(4S,7S,8R)-8-methoxy-5-(2-methoxyacetyl)-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea
CID 54634663

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)NC(C)C)C[C@H](C)[C@@H](OC)CN(C)C2=O.
What is the InChIKey of (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?
The InChIKey is AOOMHDUDPOWWMY-FVJLSDCUSA-N. The full InChI is InChI=1S/C24H38N4O6/c1-15(2)25-24(31)28-11-16(3)21(33-7)12-27(5)23(30)19-9-8-18(26-22(29)14-32-6)10-20(19)34-13-17(28)4/h8-10,15-17,21H,11-14H2,1-7H3,(H,25,31)(H,26,29)/t16-,17+,21-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 478.59 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 54632138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).