1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide

C21H22N2O — CID 113209181

IUPAC1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2(c3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C21H22N2O/c1-14(2)15-7-9-16(10-8-15)23-20(24)21(11-12-21)18-13-22-19-6-4-3-5-17(18)19/h3-10,13-14,22H,11-12H2,1-2H3,(H,23,24)
InChIKeyCESONMPTFFYBLL-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.96
Rot. Bonds4

About 1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide

1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide (PubChem CID 113209181) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
PubChem CID113209181
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2(c3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C21H22N2O/c1-14(2)15-7-9-16(10-8-15)23-20(24)21(11-12-21)18-13-22-19-6-4-3-5-17(18)19/h3-10,13-14,22H,11-12H2,1-2H3,(H,23,24)
InChIKeyCESONMPTFFYBLL-UHFFFAOYSA-N
XLogP4.96
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-chlorophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209189
1-(1H-indol-3-yl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 113209224
1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 113209078
N-butan-2-yl-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209079
1-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
CID 113209182
1-(1H-indol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 113209258
N-(2,4-dimethylphenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209170
1-(6-fluoro-1H-indol-3-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 113211144
1-(1H-indol-3-yl)-N-prop-2-enylcyclopropane-1-carboxamide
CID 113209076
N-(2-cyanophenyl)-1-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113209251
1-(1H-indol-3-yl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 113209255
1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 113210870

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide (CID 113209181) is 1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide is CC(C)c1ccc(NC(=O)C2(c3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
The InChIKey is CESONMPTFFYBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-14(2)15-7-9-16(10-8-15)23-20(24)21(11-12-21)18-13-22-19-6-4-3-5-17(18)19/h3-10,13-14,22H,11-12H2,1-2H3,(H,23,24).
What are the key properties of 1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide?
1-(1H-indol-3-yl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 4.96, 4 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-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 113209181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).