(7R,11S)-N-[2-(dimethylamino)ethyl]-N-methyl-7-(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide

C24H37N5O5 — CID 133067533

IUPAC(7R,11S)-N-[2-(dimethylamino)ethyl]-N-methyl-7-(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide
SMILESCC(C)C[C@H]1NC(=O)C[C@@H](C(=O)N(C)CCN(C)C)NC(=O)c2ccccc2OCCNC1=O
InChIInChI=1S/C24H37N5O5/c1-16(2)14-18-23(32)25-10-13-34-20-9-7-6-8-17(20)22(31)27-19(15-21(30)26-18)24(33)29(5)12-11-28(3)4/h6-9,16,18-19H,10-15H2,1-5H3,(H,25,32)(H,26,30)(H,27,31)/t18-,19+/m1/s1
InChIKeyWFMGJWDJHXDFRW-MOPGFXCFSA-N
MW475.59 g/mol
LogP0.23
Rot. Bonds6

About (7R,11S)-N-[2-(dimethylamino)ethyl]-N-methyl-7-(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide

(7R,11S)-N-[2-(dimethylamino)ethyl]-N-methyl-7-(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide (PubChem CID 133067533) has the molecular formula C24H37N5O5 and a molecular weight of 475.59 g/mol. Its IUPAC name is (7R,11S)-N-[2-(dimethylamino)ethyl]-N-methyl-7-(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide.

Molecular Properties

Compound Name(7R,11S)-N-[2-(dimethylamino)ethyl]-N-methyl-7-(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide
PubChem CID133067533
Molecular FormulaC24H37N5O5
Molecular Weight475.59 g/mol
Exact Mass475.28
IUPAC Name(7R,11S)-N-[2-(dimethylamino)ethyl]-N-methyl-7-(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide
SMILESCC(C)C[C@H]1NC(=O)C[C@@H](C(=O)N(C)CCN(C)C)NC(=O)c2ccccc2OCCNC1=O
InChIInChI=1S/C24H37N5O5/c1-16(2)14-18-23(32)25-10-13-34-20-9-7-6-8-17(20)22(31)27-19(15-21(30)26-18)24(33)29(5)12-11-28(3)4/h6-9,16,18-19H,10-15H2,1-5H3,(H,25,32)(H,26,30)(H,27,31)/t18-,19+/m1/s1
InChIKeyWFMGJWDJHXDFRW-MOPGFXCFSA-N
XLogP0.23
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (7R,11S)-N-[2-(dimethylamino)ethyl]-N-methyl-7-(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7R,11S)-N-[2-(dimethylamino)ethyl]-N-methyl-7-(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide?
The IUPAC name of (7R,11S)-N-[2-(dimethylamino)ethyl]-N-methyl-7-(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide (CID 133067533) is (7R,11S)-N-[2-(dimethylamino)ethyl]-N-methyl-7-(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide.
What is the SMILES notation for (7R,11S)-N-[2-(dimethylamino)ethyl]-N-methyl-7-(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide?
The canonical SMILES for (7R,11S)-N-[2-(dimethylamino)ethyl]-N-methyl-7-(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide is CC(C)C[C@H]1NC(=O)C[C@@H](C(=O)N(C)CCN(C)C)NC(=O)c2ccccc2OCCNC1=O.
What is the InChIKey of (7R,11S)-N-[2-(dimethylamino)ethyl]-N-methyl-7-(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide?
The InChIKey is WFMGJWDJHXDFRW-MOPGFXCFSA-N. The full InChI is InChI=1S/C24H37N5O5/c1-16(2)14-18-23(32)25-10-13-34-20-9-7-6-8-17(20)22(31)27-19(15-21(30)26-18)24(33)29(5)12-11-28(3)4/h6-9,16,18-19H,10-15H2,1-5H3,(H,25,32)(H,26,30)(H,27,31)/t18-,19+/m1/s1.
What are the key properties of (7R,11S)-N-[2-(dimethylamino)ethyl]-N-methyl-7-(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide?
(7R,11S)-N-[2-(dimethylamino)ethyl]-N-methyl-7-(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,11S)-N-[2-(dimethylamino)ethyl]-N-methyl-7-(2-methylpropyl)-6,9,13-trioxo-2-oxa-5,8,12-triazabicyclo[12.4.0]octadeca-1(18),14,16-triene-11-carboxamide is sourced from PubChem (CID 133067533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).