1-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide

C20H20N2O3 — CID 108981079

IUPAC1-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1cccc(NC(=O)C2(C(=O)N3CCc4ccccc43)CC2)c1
InChIInChI=1S/C20H20N2O3/c1-25-16-7-4-6-15(13-16)21-18(23)20(10-11-20)19(24)22-12-9-14-5-2-3-8-17(14)22/h2-8,13H,9-12H2,1H3,(H,21,23)
InChIKeyAVUVBBZGJVDFFK-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.00
Rot. Bonds4

About 1-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide

1-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 108981079) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID108981079
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1cccc(NC(=O)C2(C(=O)N3CCc4ccccc43)CC2)c1
InChIInChI=1S/C20H20N2O3/c1-25-16-7-4-6-15(13-16)21-18(23)20(10-11-20)19(24)22-12-9-14-5-2-3-8-17(14)22/h2-8,13H,9-12H2,1H3,(H,21,23)
InChIKeyAVUVBBZGJVDFFK-UHFFFAOYSA-N
XLogP3.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 108980844
N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338657
N-(3-methoxyphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972063
1-(2,3-dihydroindole-1-carbonyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 108976201
1-(2,3-dihydroindol-1-yl)-3-(3-methoxyanilino)propan-1-one
CID 109034751
N-(2-tert-butylphenyl)-1-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108981061
2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8000597
2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109197759
1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55034694
1-N-(4-chlorophenyl)-1-N'-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982578
1-N'-(2,6-dimethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108981560
N-(4-chloro-2-methylphenyl)-1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropane-1-carboxamide
CID 108981162

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide (CID 108981079) is 1-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide is COc1cccc(NC(=O)C2(C(=O)N3CCc4ccccc43)CC2)c1.
What is the InChIKey of 1-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is AVUVBBZGJVDFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-25-16-7-4-6-15(13-16)21-18(23)20(10-11-20)19(24)22-12-9-14-5-2-3-8-17(14)22/h2-8,13H,9-12H2,1H3,(H,21,23).
What are the key properties of 1-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide?
1-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108981079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).