N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanecarboxamide

C18H22N2O2 — CID 162658656

IUPACN-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanecarboxamide
SMILESCC(C)=C1C(=O)Nc2ccc(NC(=O)C3CCCCC3)cc21
InChIInChI=1S/C18H22N2O2/c1-11(2)16-14-10-13(8-9-15(14)20-18(16)22)19-17(21)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFCVXBTDYAVSYMC-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.95
Rot. Bonds2

About N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanecarboxamide

N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanecarboxamide (PubChem CID 162658656) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanecarboxamide
PubChem CID162658656
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanecarboxamide
SMILESCC(C)=C1C(=O)Nc2ccc(NC(=O)C3CCCCC3)cc21
InChIInChI=1S/C18H22N2O2/c1-11(2)16-14-10-13(8-9-15(14)20-18(16)22)19-17(21)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFCVXBTDYAVSYMC-UHFFFAOYSA-N
XLogP3.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-dioxoisoindol-5-yl)cyclopentanecarboxamide
CID 17172079
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)cyclohexanecarboxamide
CID 110405857
3,5-bis(cyclohexanecarbonylamino)-N-(1,3-dioxoisoindol-5-yl)benzamide
CID 17172126
N-(3-acetamido-4-chlorophenyl)cyclohexanecarboxamide
CID 47408126
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)cyclopentanecarboxamide
CID 56764976
N-(4-acetamido-3-methoxyphenyl)cyclohexanecarboxamide
CID 53491142
N-(4,4-dimethyl-2-oxo-1,3-dihydroquinolin-6-yl)cyclobutanecarboxamide
CID 75361169
N-(1,2,3,4-tetrahydroquinolin-6-yl)cycloheptanecarboxamide
CID 62633858
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopentanecarboxamide
CID 9145093
N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)cyclopropanecarboxamide
CID 40947512
N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide
CID 766715

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanecarboxamide (CID 162658656) is N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanecarboxamide is CC(C)=C1C(=O)Nc2ccc(NC(=O)C3CCCCC3)cc21.
What is the InChIKey of N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanecarboxamide?
The InChIKey is FCVXBTDYAVSYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-11(2)16-14-10-13(8-9-15(14)20-18(16)22)19-17(21)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanecarboxamide?
N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanecarboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3-propan-2-ylidene-1H-indol-5-yl)cyclohexanecarboxamide is sourced from PubChem (CID 162658656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).