N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]cyclohexanecarboxamide

C18H26N2O3 — CID 112998973

IUPACN-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]cyclohexanecarboxamide
SMILESCC(C)Oc1ccccc1NC(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C18H26N2O3/c1-13(2)23-16-11-7-6-10-15(16)20-17(21)12-19-18(22)14-8-4-3-5-9-14/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyCCVIXZINXJNSJU-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.11
Rot. Bonds6

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

N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]cyclohexanecarboxamide (PubChem CID 112998973) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]cyclohexanecarboxamide
PubChem CID112998973
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]cyclohexanecarboxamide
SMILESCC(C)Oc1ccccc1NC(=O)CNC(=O)C1CCCCC1
InChIInChI=1S/C18H26N2O3/c1-13(2)23-16-11-7-6-10-15(16)20-17(21)12-19-18(22)14-8-4-3-5-9-14/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyCCVIXZINXJNSJU-UHFFFAOYSA-N
XLogP3.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998571
N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687182
N-cyclopentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108942247
2-[acetyl(cyclohexyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113159539
1-N-(3-methylbutyl)-4-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109149770
N-[2-oxo-2-(2-phenoxyanilino)ethyl]cyclopropanecarboxamide
CID 42697207
N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 8000352
N-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997775
N-[2-(2-tert-butylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997525
2-(oxan-2-yl)-N-(2-propan-2-yloxyphenyl)acetamide
CID 110422651
2-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54815711
4-N-(2-fluorophenyl)-1-N-(2-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150874

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]cyclohexanecarboxamide (CID 112998973) is N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]cyclohexanecarboxamide is CC(C)Oc1ccccc1NC(=O)CNC(=O)C1CCCCC1.
What is the InChIKey of N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]cyclohexanecarboxamide?
The InChIKey is CCVIXZINXJNSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(2)23-16-11-7-6-10-15(16)20-17(21)12-19-18(22)14-8-4-3-5-9-14/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]cyclohexanecarboxamide?
N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]cyclohexanecarboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 112998973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).