N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide

C18H26N2O2 — CID 112997174

IUPACN-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide
SMILESCC(C)c1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C18H26N2O2/c1-13(2)14-8-10-16(11-9-14)20-17(21)12-19-18(22)15-6-4-3-5-7-15/h8-11,13,15H,3-7,12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYDZDBNDSYFDXED-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.44
Rot. Bonds5

About N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide

N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide (PubChem CID 112997174) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide
PubChem CID112997174
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide
SMILESCC(C)c1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C18H26N2O2/c1-13(2)14-8-10-16(11-9-14)20-17(21)12-19-18(22)15-6-4-3-5-7-15/h8-11,13,15H,3-7,12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYDZDBNDSYFDXED-UHFFFAOYSA-N
XLogP3.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
2-acetamido-N-(4-propan-2-ylphenyl)acetamide
CID 110687041
N-[2-(4-methylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 46410880
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide
CID 112986646
2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 11839703
1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145314
N-[2-(4-tert-butylanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687174
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide
CID 119525287
2-(4-propan-2-ylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39448754
N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]cyclohexanecarboxamide
CID 55806046
N-[2-[[4-(butanoylamino)phenyl]methylamino]-2-oxoethyl]cyclopentanecarboxamide
CID 47057603

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide (CID 112997174) is N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide is CC(C)c1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide?
The InChIKey is YDZDBNDSYFDXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13(2)14-8-10-16(11-9-14)20-17(21)12-19-18(22)15-6-4-3-5-7-15/h8-11,13,15H,3-7,12H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide?
N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 112997174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).