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

C27H37N3O5 — CID 54635450

IUPACN-[(4R,7S,8S)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]acetamide
SMILESCOc1ccccc1CN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H]1C
InChIInChI=1S/C27H37N3O5/c1-18-14-30(15-21-9-7-8-10-24(21)33-5)19(2)17-35-25-13-22(28-20(3)31)11-12-23(25)27(32)29(4)16-26(18)34-6/h7-13,18-19,26H,14-17H2,1-6H3,(H,28,31)/t18-,19+,26+/m0/s1
InChIKeyZUNFVDQFBBFBKV-GNBJCERTSA-N
MW483.61 g/mol
LogP3.66
Rot. Bonds5

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

N-[(4R,7S,8S)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]acetamide (PubChem CID 54635450) has the molecular formula C27H37N3O5 and a molecular weight of 483.61 g/mol. Its IUPAC name is N-[(4R,7S,8S)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]acetamide.

Molecular Properties

Compound NameN-[(4R,7S,8S)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]acetamide
PubChem CID54635450
Molecular FormulaC27H37N3O5
Molecular Weight483.61 g/mol
Exact Mass483.27
IUPAC NameN-[(4R,7S,8S)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]acetamide
SMILESCOc1ccccc1CN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H]1C
InChIInChI=1S/C27H37N3O5/c1-18-14-30(15-21-9-7-8-10-24(21)33-5)19(2)17-35-25-13-22(28-20(3)31)11-12-23(25)27(32)29(4)16-26(18)34-6/h7-13,18-19,26H,14-17H2,1-6H3,(H,28,31)/t18-,19+,26+/m0/s1
InChIKeyZUNFVDQFBBFBKV-GNBJCERTSA-N
XLogP3.66
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4R,7S,8S)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]acetamide?
The IUPAC name of N-[(4R,7S,8S)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]acetamide (CID 54635450) is N-[(4R,7S,8S)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]acetamide.
What is the SMILES notation for N-[(4R,7S,8S)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]acetamide?
The canonical SMILES for N-[(4R,7S,8S)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]acetamide is COc1ccccc1CN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H]1C.
What is the InChIKey of N-[(4R,7S,8S)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]acetamide?
The InChIKey is ZUNFVDQFBBFBKV-GNBJCERTSA-N. The full InChI is InChI=1S/C27H37N3O5/c1-18-14-30(15-21-9-7-8-10-24(21)33-5)19(2)17-35-25-13-22(28-20(3)31)11-12-23(25)27(32)29(4)16-26(18)34-6/h7-13,18-19,26H,14-17H2,1-6H3,(H,28,31)/t18-,19+,26+/m0/s1.
What are the key properties of N-[(4R,7S,8S)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]acetamide?
N-[(4R,7S,8S)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]acetamide has a molecular weight of 483.61 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R,7S,8S)-8-methoxy-5-[(2-methoxyphenyl)methyl]-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-15-yl]acetamide is sourced from PubChem (CID 54635450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).