1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide

C21H22N2O — CID 113209182

IUPAC1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)C2(c3c[nH]c4ccccc34)CC2)c(C)c1
InChIInChI=1S/C21H22N2O/c1-13-10-14(2)19(15(3)11-13)23-20(24)21(8-9-21)17-12-22-18-7-5-4-6-16(17)18/h4-7,10-12,22H,8-9H2,1-3H3,(H,23,24)
InChIKeyODZGZTFVBRFTER-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.76
Rot. Bonds3

About 1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide

1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide (PubChem CID 113209182) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
PubChem CID113209182
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)C2(c3c[nH]c4ccccc34)CC2)c(C)c1
InChIInChI=1S/C21H22N2O/c1-13-10-14(2)19(15(3)11-13)23-20(24)21(8-9-21)17-12-22-18-7-5-4-6-16(17)18/h4-7,10-12,22H,8-9H2,1-3H3,(H,23,24)
InChIKeyODZGZTFVBRFTER-UHFFFAOYSA-N
XLogP4.76
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209170
1-(1H-indol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 113209258
N-(4-chlorophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209189
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209248
1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 113209181
1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 113209255
1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 113209078
N-(2-cyanophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209251
1-(1H-indol-3-yl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 113209224
N-butan-2-yl-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209079
1-(1H-indol-3-yl)-N-prop-2-enylcyclopropane-1-carboxamide
CID 113209076
1-(5-chloro-1H-indol-3-yl)-N-(2,6-difluorophenyl)cyclopropane-1-carboxamide
CID 113211034

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide (CID 113209182) is 1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide is Cc1cc(C)c(NC(=O)C2(c3c[nH]c4ccccc34)CC2)c(C)c1.
What is the InChIKey of 1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide?
The InChIKey is ODZGZTFVBRFTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-13-10-14(2)19(15(3)11-13)23-20(24)21(8-9-21)17-12-22-18-7-5-4-6-16(17)18/h4-7,10-12,22H,8-9H2,1-3H3,(H,23,24).
What are the key properties of 1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide?
1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113209182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).