(2R)-N-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(4-methylphenoxy)propanamide

C19H22N2O4 — CID 98332438

IUPAC(2R)-N-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)NN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1
InChIInChI=1S/C19H22N2O4/c1-10-3-7-14(8-4-10)25-11(2)17(22)20-21-18(23)15-12-5-6-13(9-12)16(15)19(21)24/h3-4,7-8,11-13,15-16H,5-6,9H2,1-2H3,(H,20,22)/t11-,12+,13+,15-,16+/m1/s1
InChIKeyOPCRUYWZCROQEC-GADBESIXSA-N
MW342.40 g/mol
LogP1.82
Rot. Bonds4

About (2R)-N-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(4-methylphenoxy)propanamide

(2R)-N-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(4-methylphenoxy)propanamide (PubChem CID 98332438) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2R)-N-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(4-methylphenoxy)propanamide
PubChem CID98332438
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name(2R)-N-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(4-methylphenoxy)propanamide
SMILESCc1ccc(O[C@H](C)C(=O)NN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1
InChIInChI=1S/C19H22N2O4/c1-10-3-7-14(8-4-10)25-11(2)17(22)20-21-18(23)15-12-5-6-13(9-12)16(15)19(21)24/h3-4,7-8,11-13,15-16H,5-6,9H2,1-2H3,(H,20,22)/t11-,12+,13+,15-,16+/m1/s1
InChIKeyOPCRUYWZCROQEC-GADBESIXSA-N
XLogP1.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2R)-N-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(4-methylphenoxy)propanamide with MolForge

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Related Compounds

(2S)-N-[(3aR,4S,7S,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]-2-(4-methylphenoxy)propanamide
CID 98230181
(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenoxy)propanamide
CID 27802506
(2R)-N-[(3aR,4S,7R,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]-2-(3,4-dimethylphenoxy)propanamide
CID 27519450
(2S)-N-[(3aS,4S,7R,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]-2-(3,5-dimethylphenoxy)propanamide
CID 27519445
(2S)-N-[(3aR,4R,7R,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl]-2-(3,5-dimethylphenoxy)propanamide
CID 98333226
(2S)-2-(3,4-dimethylphenoxy)-N-[(1S,2S,6S,7S)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]propanamide
CID 98289459
(2R)-2-(3,4-dimethylphenoxy)-N-[(1S,2S,6S,7S)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]propanamide
CID 98289460
(2S)-2-(3,4-dimethylphenoxy)-N-[(1S,2R,6S,7S)-3,5-dioxo-10-propan-2-ylidene-4-azatricyclo[5.2.1.02,6]decan-4-yl]propanamide
CID 98289457
(2R)-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-methylphenoxy)propanamide
CID 124713228
(2S)-N-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-2-(3-methylphenoxy)propanamide
CID 40648820
N'-[2-(4-methylphenoxy)propanoyl]cyclopropanecarbohydrazide
CID 51165989
N-(4-methylcyclohexyl)-2-(4-methylphenoxy)propanamide
CID 42889091

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(4-methylphenoxy)propanamide (CID 98332438) is (2R)-N-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(4-methylphenoxy)propanamide is Cc1ccc(O[C@H](C)C(=O)NN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1.
What is the InChIKey of (2R)-N-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(4-methylphenoxy)propanamide?
The InChIKey is OPCRUYWZCROQEC-GADBESIXSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-10-3-7-14(8-4-10)25-11(2)17(22)20-21-18(23)15-12-5-6-13(9-12)16(15)19(21)24/h3-4,7-8,11-13,15-16H,5-6,9H2,1-2H3,(H,20,22)/t11-,12+,13+,15-,16+/m1/s1.
What are the key properties of (2R)-N-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(4-methylphenoxy)propanamide?
(2R)-N-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(4-methylphenoxy)propanamide has a molecular weight of 342.40 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 98332438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).