N-[(2S)-2-(4-methoxybenzoyl)-1,3-dioxoinden-4-yl]acetamide

C19H15NO5 — CID 98061288

IUPACN-[(2S)-2-(4-methoxybenzoyl)-1,3-dioxoinden-4-yl]acetamide
SMILESCOc1ccc(C(=O)[C@H]2C(=O)c3cccc(NC(C)=O)c3C2=O)cc1
InChIInChI=1S/C19H15NO5/c1-10(21)20-14-5-3-4-13-15(14)19(24)16(18(13)23)17(22)11-6-8-12(25-2)9-7-11/h3-9,16H,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyWMVMOPLFDKWJMQ-INIZCTEOSA-N
MW337.33 g/mol
LogP2.53
Rot. Bonds4

About N-[(2S)-2-(4-methoxybenzoyl)-1,3-dioxoinden-4-yl]acetamide

N-[(2S)-2-(4-methoxybenzoyl)-1,3-dioxoinden-4-yl]acetamide (PubChem CID 98061288) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is N-[(2S)-2-(4-methoxybenzoyl)-1,3-dioxoinden-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methoxybenzoyl)-1,3-dioxoinden-4-yl]acetamide
PubChem CID98061288
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC NameN-[(2S)-2-(4-methoxybenzoyl)-1,3-dioxoinden-4-yl]acetamide
SMILESCOc1ccc(C(=O)[C@H]2C(=O)c3cccc(NC(C)=O)c3C2=O)cc1
InChIInChI=1S/C19H15NO5/c1-10(21)20-14-5-3-4-13-15(14)19(24)16(18(13)23)17(22)11-6-8-12(25-2)9-7-11/h3-9,16H,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyWMVMOPLFDKWJMQ-INIZCTEOSA-N
XLogP2.53
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[1,3-dioxo-2-(4-phenoxybenzoyl)inden-4-yl]acetamide
CID 11133104
1-[2-(4-ethoxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea
CID 70793127
2-benzoyl-5-methoxyindene-1,3-dione
CID 122369760
N-[2-(2,4-dimethoxyphenyl)phenyl]acetamide
CID 86081519
N-(1,3-dioxo-2-benzofuran-4-yl)acetamide;ethane
CID 143956506
2-(4-fluorobenzoyl)indene-1,3-dione
CID 122369754
N-(1,3,4-trioxoisoquinolin-5-yl)acetamide
CID 11572178
N-(6-formyl-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)acetamide
CID 91726094
N-(2-acetylphenyl)-4-methoxybenzamide
CID 3509429
N-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide
CID 3318461
methyl N-(4-methoxybenzoyl)carbamate
CID 10420604
N-[2-(5-methoxy-1H-indol-2-yl)phenyl]acetamide
CID 10731437

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methoxybenzoyl)-1,3-dioxoinden-4-yl]acetamide?
The IUPAC name of N-[(2S)-2-(4-methoxybenzoyl)-1,3-dioxoinden-4-yl]acetamide (CID 98061288) is N-[(2S)-2-(4-methoxybenzoyl)-1,3-dioxoinden-4-yl]acetamide.
What is the SMILES notation for N-[(2S)-2-(4-methoxybenzoyl)-1,3-dioxoinden-4-yl]acetamide?
The canonical SMILES for N-[(2S)-2-(4-methoxybenzoyl)-1,3-dioxoinden-4-yl]acetamide is COc1ccc(C(=O)[C@H]2C(=O)c3cccc(NC(C)=O)c3C2=O)cc1.
What is the InChIKey of N-[(2S)-2-(4-methoxybenzoyl)-1,3-dioxoinden-4-yl]acetamide?
The InChIKey is WMVMOPLFDKWJMQ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H15NO5/c1-10(21)20-14-5-3-4-13-15(14)19(24)16(18(13)23)17(22)11-6-8-12(25-2)9-7-11/h3-9,16H,1-2H3,(H,20,21)/t16-/m0/s1.
What are the key properties of N-[(2S)-2-(4-methoxybenzoyl)-1,3-dioxoinden-4-yl]acetamide?
N-[(2S)-2-(4-methoxybenzoyl)-1,3-dioxoinden-4-yl]acetamide has a molecular weight of 337.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methoxybenzoyl)-1,3-dioxoinden-4-yl]acetamide is sourced from PubChem (CID 98061288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).