N-[2-(2-methoxy-4-propan-2-ylphenyl)-1,3-dioxoinden-2-yl]cyclopropanecarboxamide

C23H23NO4 — CID 71477294

IUPACN-[2-(2-methoxy-4-propan-2-ylphenyl)-1,3-dioxoinden-2-yl]cyclopropanecarboxamide
SMILESCOc1cc(C(C)C)ccc1C1(NC(=O)C2CC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H23NO4/c1-13(2)15-10-11-18(19(12-15)28-3)23(24-22(27)14-8-9-14)20(25)16-6-4-5-7-17(16)21(23)26/h4-7,10-14H,8-9H2,1-3H3,(H,24,27)
InChIKeyDPFQPWXBFKIOLI-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.62
Rot. Bonds5

About N-[2-(2-methoxy-4-propan-2-ylphenyl)-1,3-dioxoinden-2-yl]cyclopropanecarboxamide

N-[2-(2-methoxy-4-propan-2-ylphenyl)-1,3-dioxoinden-2-yl]cyclopropanecarboxamide (PubChem CID 71477294) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[2-(2-methoxy-4-propan-2-ylphenyl)-1,3-dioxoinden-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-4-propan-2-ylphenyl)-1,3-dioxoinden-2-yl]cyclopropanecarboxamide
PubChem CID71477294
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC NameN-[2-(2-methoxy-4-propan-2-ylphenyl)-1,3-dioxoinden-2-yl]cyclopropanecarboxamide
SMILESCOc1cc(C(C)C)ccc1C1(NC(=O)C2CC2)C(=O)c2ccccc2C1=O
InChIInChI=1S/C23H23NO4/c1-13(2)15-10-11-18(19(12-15)28-3)23(24-22(27)14-8-9-14)20(25)16-6-4-5-7-17(16)21(23)26/h4-7,10-14H,8-9H2,1-3H3,(H,24,27)
InChIKeyDPFQPWXBFKIOLI-UHFFFAOYSA-N
XLogP3.62
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

ethyl N-[2-(2-methoxy-4-propan-2-ylphenyl)-1,3-dioxoinden-2-yl]carbamate
CID 71477447
[2-(2-acetamido-1,3-dioxoinden-2-yl)-5-propan-2-ylphenyl] phenyl carbonate
CID 71478171
[2-(2-acetamido-1,3-dioxo-5,6-dihydroinden-2-yl)-5-propan-2-ylphenyl] methyl carbonate
CID 138714280
N-[(R)-(2-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097068
N-[1-(2-methoxyphenyl)cyclopropyl]cyclopropanecarboxamide
CID 110445612
N-[2-(2-hydroxy-4-propan-2-ylphenyl)-1,3-dioxoinden-2-yl]octanamide
CID 140639211
N-[(S)-(2-methoxyphenyl)-(5-propan-2-yl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 171097047
3-(2-methoxy-4-propan-2-ylphenyl)oxetane-3-carboxylic acid
CID 116871772
3-(2-methoxy-4-propan-2-ylphenyl)oxetan-3-ol
CID 116872986
[2-[4-amino-1,3-dioxo-2-(pentanoylamino)inden-2-yl]-5-propan-2-ylphenyl] pentanoate;iron
CID 159565640
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 61166375
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287478

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-4-propan-2-ylphenyl)-1,3-dioxoinden-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(2-methoxy-4-propan-2-ylphenyl)-1,3-dioxoinden-2-yl]cyclopropanecarboxamide (CID 71477294) is N-[2-(2-methoxy-4-propan-2-ylphenyl)-1,3-dioxoinden-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(2-methoxy-4-propan-2-ylphenyl)-1,3-dioxoinden-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(2-methoxy-4-propan-2-ylphenyl)-1,3-dioxoinden-2-yl]cyclopropanecarboxamide is COc1cc(C(C)C)ccc1C1(NC(=O)C2CC2)C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[2-(2-methoxy-4-propan-2-ylphenyl)-1,3-dioxoinden-2-yl]cyclopropanecarboxamide?
The InChIKey is DPFQPWXBFKIOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-13(2)15-10-11-18(19(12-15)28-3)23(24-22(27)14-8-9-14)20(25)16-6-4-5-7-17(16)21(23)26/h4-7,10-14H,8-9H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(2-methoxy-4-propan-2-ylphenyl)-1,3-dioxoinden-2-yl]cyclopropanecarboxamide?
N-[2-(2-methoxy-4-propan-2-ylphenyl)-1,3-dioxoinden-2-yl]cyclopropanecarboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-4-propan-2-ylphenyl)-1,3-dioxoinden-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71477294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).