2,3-dimethyl-N-[1-(3-propan-2-ylphenyl)cyclopropyl]-1H-indole-5-carboxamide

C23H26N2O — CID 71113046

IUPAC2,3-dimethyl-N-[1-(3-propan-2-ylphenyl)cyclopropyl]-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NC3(c4cccc(C(C)C)c4)CC3)cc2c1C
InChIInChI=1S/C23H26N2O/c1-14(2)17-6-5-7-19(12-17)23(10-11-23)25-22(26)18-8-9-21-20(13-18)15(3)16(4)24-21/h5-9,12-14,24H,10-11H2,1-4H3,(H,25,26)
InChIKeyXIDQXQROUYVSCY-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.33
Rot. Bonds4

About 2,3-dimethyl-N-[1-(3-propan-2-ylphenyl)cyclopropyl]-1H-indole-5-carboxamide

2,3-dimethyl-N-[1-(3-propan-2-ylphenyl)cyclopropyl]-1H-indole-5-carboxamide (PubChem CID 71113046) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 2,3-dimethyl-N-[1-(3-propan-2-ylphenyl)cyclopropyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[1-(3-propan-2-ylphenyl)cyclopropyl]-1H-indole-5-carboxamide
PubChem CID71113046
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name2,3-dimethyl-N-[1-(3-propan-2-ylphenyl)cyclopropyl]-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)NC3(c4cccc(C(C)C)c4)CC3)cc2c1C
InChIInChI=1S/C23H26N2O/c1-14(2)17-6-5-7-19(12-17)23(10-11-23)25-22(26)18-8-9-21-20(13-18)15(3)16(4)24-21/h5-9,12-14,24H,10-11H2,1-4H3,(H,25,26)
InChIKeyXIDQXQROUYVSCY-UHFFFAOYSA-N
XLogP5.33
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[1-(3-propan-2-ylphenyl)cyclopropyl]-1H-indole-5-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[1-(3-propan-2-ylphenyl)cyclopropyl]-1H-indole-5-carboxamide (CID 71113046) is 2,3-dimethyl-N-[1-(3-propan-2-ylphenyl)cyclopropyl]-1H-indole-5-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[1-(3-propan-2-ylphenyl)cyclopropyl]-1H-indole-5-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[1-(3-propan-2-ylphenyl)cyclopropyl]-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)NC3(c4cccc(C(C)C)c4)CC3)cc2c1C.
What is the InChIKey of 2,3-dimethyl-N-[1-(3-propan-2-ylphenyl)cyclopropyl]-1H-indole-5-carboxamide?
The InChIKey is XIDQXQROUYVSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-14(2)17-6-5-7-19(12-17)23(10-11-23)25-22(26)18-8-9-21-20(13-18)15(3)16(4)24-21/h5-9,12-14,24H,10-11H2,1-4H3,(H,25,26).
What are the key properties of 2,3-dimethyl-N-[1-(3-propan-2-ylphenyl)cyclopropyl]-1H-indole-5-carboxamide?
2,3-dimethyl-N-[1-(3-propan-2-ylphenyl)cyclopropyl]-1H-indole-5-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[1-(3-propan-2-ylphenyl)cyclopropyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 71113046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).