(3R,4R,5R)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide

C18H23N3O3 — CID 98132417

IUPAC(3R,4R,5R)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide
SMILESC[C@H](CN(C)C)NC(=O)[C@@H]1[C@H]2C(=O)Nc3ccccc3C(=O)[C@@]21C
InChIInChI=1S/C18H23N3O3/c1-10(9-21(3)4)19-16(23)13-14-17(24)20-12-8-6-5-7-11(12)15(22)18(13,14)2/h5-8,10,13-14H,9H2,1-4H3,(H,19,23)(H,20,24)/t10-,13+,14+,18-/m1/s1
InChIKeyMGOZMLRWYDSPIC-BVSJBKOGSA-N
MW329.40 g/mol
LogP1.14
Rot. Bonds4

About (3R,4R,5R)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide

(3R,4R,5R)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide (PubChem CID 98132417) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3R,4R,5R)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide.

Molecular Properties

Compound Name(3R,4R,5R)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide
PubChem CID98132417
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(3R,4R,5R)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide
SMILESC[C@H](CN(C)C)NC(=O)[C@@H]1[C@H]2C(=O)Nc3ccccc3C(=O)[C@@]21C
InChIInChI=1S/C18H23N3O3/c1-10(9-21(3)4)19-16(23)13-14-17(24)20-12-8-6-5-7-11(12)15(22)18(13,14)2/h5-8,10,13-14H,9H2,1-4H3,(H,19,23)(H,20,24)/t10-,13+,14+,18-/m1/s1
InChIKeyMGOZMLRWYDSPIC-BVSJBKOGSA-N
XLogP1.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,4R,5R)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide?
The IUPAC name of (3R,4R,5R)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide (CID 98132417) is (3R,4R,5R)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide.
What is the SMILES notation for (3R,4R,5R)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide?
The canonical SMILES for (3R,4R,5R)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide is C[C@H](CN(C)C)NC(=O)[C@@H]1[C@H]2C(=O)Nc3ccccc3C(=O)[C@@]21C.
What is the InChIKey of (3R,4R,5R)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide?
The InChIKey is MGOZMLRWYDSPIC-BVSJBKOGSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-10(9-21(3)4)19-16(23)13-14-17(24)20-12-8-6-5-7-11(12)15(22)18(13,14)2/h5-8,10,13-14H,9H2,1-4H3,(H,19,23)(H,20,24)/t10-,13+,14+,18-/m1/s1.
What are the key properties of (3R,4R,5R)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide?
(3R,4R,5R)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-N-[(2R)-1-(dimethylamino)propan-2-yl]-3-methyl-2,6-dioxo-7-azatricyclo[6.4.0.03,5]dodeca-1(12),8,10-triene-4-carboxamide is sourced from PubChem (CID 98132417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).