(5R,11R)-N-(4-fluoro-3-methylphenyl)-11-(hydroxymethyl)-5,13-dimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide

C20H24FN5O4 — CID 146657571

IUPAC(5R,11R)-N-(4-fluoro-3-methylphenyl)-11-(hydroxymethyl)-5,13-dimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
SMILESCc1cc(NC(=O)N2Cc3c(nn4c3C(=O)N(C)O[C@@H](CO)C4)C[C@H]2C)ccc1F
InChIInChI=1S/C20H24FN5O4/c1-11-6-13(4-5-16(11)21)22-20(29)25-9-15-17(7-12(25)2)23-26-8-14(10-27)30-24(3)19(28)18(15)26/h4-6,12,14,27H,7-10H2,1-3H3,(H,22,29)/t12-,14-/m1/s1
InChIKeyYUMKMCZBLUXPGA-TZMCWYRMSA-N
MW417.44 g/mol
LogP1.69
Rot. Bonds2

About (5R,11R)-N-(4-fluoro-3-methylphenyl)-11-(hydroxymethyl)-5,13-dimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide

(5R,11R)-N-(4-fluoro-3-methylphenyl)-11-(hydroxymethyl)-5,13-dimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide (PubChem CID 146657571) has the molecular formula C20H24FN5O4 and a molecular weight of 417.44 g/mol. Its IUPAC name is (5R,11R)-N-(4-fluoro-3-methylphenyl)-11-(hydroxymethyl)-5,13-dimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide.

Molecular Properties

Compound Name(5R,11R)-N-(4-fluoro-3-methylphenyl)-11-(hydroxymethyl)-5,13-dimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
PubChem CID146657571
Molecular FormulaC20H24FN5O4
Molecular Weight417.44 g/mol
Exact Mass417.18
IUPAC Name(5R,11R)-N-(4-fluoro-3-methylphenyl)-11-(hydroxymethyl)-5,13-dimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
SMILESCc1cc(NC(=O)N2Cc3c(nn4c3C(=O)N(C)O[C@@H](CO)C4)C[C@H]2C)ccc1F
InChIInChI=1S/C20H24FN5O4/c1-11-6-13(4-5-16(11)21)22-20(29)25-9-15-17(7-12(25)2)23-26-8-14(10-27)30-24(3)19(28)18(15)26/h4-6,12,14,27H,7-10H2,1-3H3,(H,22,29)/t12-,14-/m1/s1
InChIKeyYUMKMCZBLUXPGA-TZMCWYRMSA-N
XLogP1.69
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5R,11R)-N-(4-fluoro-3-methylphenyl)-11-(hydroxymethyl)-5,13-dimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide with MolForge

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Related Compounds

CID 141725214
CID 141725214
CID 141725387
CID 141725387
CID 141725414
CID 141725414
CID 145434501
CID 145434501
CID 145434541
CID 145434541
CID 145434651
CID 145434651
CID 145434653
CID 145434653
CID 145434725
CID 145434725
CID 145434819
CID 145434819
CID 145434850
CID 145434850
CID 145434957
CID 145434957
CID 145435023
CID 145435023

Frequently Asked Questions

What is the IUPAC name of (5R,11R)-N-(4-fluoro-3-methylphenyl)-11-(hydroxymethyl)-5,13-dimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide?
The IUPAC name of (5R,11R)-N-(4-fluoro-3-methylphenyl)-11-(hydroxymethyl)-5,13-dimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide (CID 146657571) is (5R,11R)-N-(4-fluoro-3-methylphenyl)-11-(hydroxymethyl)-5,13-dimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide.
What is the SMILES notation for (5R,11R)-N-(4-fluoro-3-methylphenyl)-11-(hydroxymethyl)-5,13-dimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide?
The canonical SMILES for (5R,11R)-N-(4-fluoro-3-methylphenyl)-11-(hydroxymethyl)-5,13-dimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide is Cc1cc(NC(=O)N2Cc3c(nn4c3C(=O)N(C)O[C@@H](CO)C4)C[C@H]2C)ccc1F.
What is the InChIKey of (5R,11R)-N-(4-fluoro-3-methylphenyl)-11-(hydroxymethyl)-5,13-dimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide?
The InChIKey is YUMKMCZBLUXPGA-TZMCWYRMSA-N. The full InChI is InChI=1S/C20H24FN5O4/c1-11-6-13(4-5-16(11)21)22-20(29)25-9-15-17(7-12(25)2)23-26-8-14(10-27)30-24(3)19(28)18(15)26/h4-6,12,14,27H,7-10H2,1-3H3,(H,22,29)/t12-,14-/m1/s1.
What are the key properties of (5R,11R)-N-(4-fluoro-3-methylphenyl)-11-(hydroxymethyl)-5,13-dimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide?
(5R,11R)-N-(4-fluoro-3-methylphenyl)-11-(hydroxymethyl)-5,13-dimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,11R)-N-(4-fluoro-3-methylphenyl)-11-(hydroxymethyl)-5,13-dimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide is sourced from PubChem (CID 146657571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).