3-(1-cyclohexyl-3-oxopropan-2-yl)-1H-indole-2-carboxamide

C18H22N2O2 — CID 175804937

IUPAC3-(1-cyclohexyl-3-oxopropan-2-yl)-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccccc2c1C(C=O)CC1CCCCC1
InChIInChI=1S/C18H22N2O2/c19-18(22)17-16(14-8-4-5-9-15(14)20-17)13(11-21)10-12-6-2-1-3-7-12/h4-5,8-9,11-13,20H,1-3,6-7,10H2,(H2,19,22)
InChIKeyIQXRIMFGKSGRIL-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.52
Rot. Bonds5

About 3-(1-cyclohexyl-3-oxopropan-2-yl)-1H-indole-2-carboxamide

3-(1-cyclohexyl-3-oxopropan-2-yl)-1H-indole-2-carboxamide (PubChem CID 175804937) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(1-cyclohexyl-3-oxopropan-2-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-(1-cyclohexyl-3-oxopropan-2-yl)-1H-indole-2-carboxamide
PubChem CID175804937
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-(1-cyclohexyl-3-oxopropan-2-yl)-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccccc2c1C(C=O)CC1CCCCC1
InChIInChI=1S/C18H22N2O2/c19-18(22)17-16(14-8-4-5-9-15(14)20-17)13(11-21)10-12-6-2-1-3-7-12/h4-5,8-9,11-13,20H,1-3,6-7,10H2,(H2,19,22)
InChIKeyIQXRIMFGKSGRIL-UHFFFAOYSA-N
XLogP3.52
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexyl-3-oxopropan-2-yl)-1H-indole-2-carboxamide?
The IUPAC name of 3-(1-cyclohexyl-3-oxopropan-2-yl)-1H-indole-2-carboxamide (CID 175804937) is 3-(1-cyclohexyl-3-oxopropan-2-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3-(1-cyclohexyl-3-oxopropan-2-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 3-(1-cyclohexyl-3-oxopropan-2-yl)-1H-indole-2-carboxamide is NC(=O)c1[nH]c2ccccc2c1C(C=O)CC1CCCCC1.
What is the InChIKey of 3-(1-cyclohexyl-3-oxopropan-2-yl)-1H-indole-2-carboxamide?
The InChIKey is IQXRIMFGKSGRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c19-18(22)17-16(14-8-4-5-9-15(14)20-17)13(11-21)10-12-6-2-1-3-7-12/h4-5,8-9,11-13,20H,1-3,6-7,10H2,(H2,19,22).
What are the key properties of 3-(1-cyclohexyl-3-oxopropan-2-yl)-1H-indole-2-carboxamide?
3-(1-cyclohexyl-3-oxopropan-2-yl)-1H-indole-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexyl-3-oxopropan-2-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 175804937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).