N-[4-(2-ethoxyanilino)phenyl]cyclohexanecarboxamide

C21H26N2O2 — CID 112987589

IUPACN-[4-(2-ethoxyanilino)phenyl]cyclohexanecarboxamide
SMILESCCOc1ccccc1Nc1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C21H26N2O2/c1-2-25-20-11-7-6-10-19(20)22-17-12-14-18(15-13-17)23-21(24)16-8-4-3-5-9-16/h6-7,10-16,22H,2-5,8-9H2,1H3,(H,23,24)
InChIKeyROOXROFJAVHNLW-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.35
Rot. Bonds6

About N-[4-(2-ethoxyanilino)phenyl]cyclohexanecarboxamide

N-[4-(2-ethoxyanilino)phenyl]cyclohexanecarboxamide (PubChem CID 112987589) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[4-(2-ethoxyanilino)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-ethoxyanilino)phenyl]cyclohexanecarboxamide
PubChem CID112987589
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[4-(2-ethoxyanilino)phenyl]cyclohexanecarboxamide
SMILESCCOc1ccccc1Nc1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C21H26N2O2/c1-2-25-20-11-7-6-10-19(20)22-17-12-14-18(15-13-17)23-21(24)16-8-4-3-5-9-16/h6-7,10-16,22H,2-5,8-9H2,1H3,(H,23,24)
InChIKeyROOXROFJAVHNLW-UHFFFAOYSA-N
XLogP5.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropanecarbonylamino)-N-(2-ethoxyphenyl)benzamide
CID 2995907
N-[4-(2-methoxyanilino)phenyl]cyclopropanecarboxamide
CID 112987323
methyl 2-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112988416
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
ethyl 2-[4-(cyclopropanecarbonylamino)anilino]benzoate
CID 112989771
N-[3-(bromomethyl)-4-ethoxyphenyl]cyclohexanecarboxamide
CID 114313578
N-[3-[1-(2-ethoxyanilino)-1-oxobutan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
CID 18907748
N-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide
CID 110860155
ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112989355
N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 18072790
2-[4-(2-ethoxyanilino)anilino]phenol
CID 139619306
N-[5-(4-ethoxyanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113034331

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethoxyanilino)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(2-ethoxyanilino)phenyl]cyclohexanecarboxamide (CID 112987589) is N-[4-(2-ethoxyanilino)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(2-ethoxyanilino)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(2-ethoxyanilino)phenyl]cyclohexanecarboxamide is CCOc1ccccc1Nc1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[4-(2-ethoxyanilino)phenyl]cyclohexanecarboxamide?
The InChIKey is ROOXROFJAVHNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-2-25-20-11-7-6-10-19(20)22-17-12-14-18(15-13-17)23-21(24)16-8-4-3-5-9-16/h6-7,10-16,22H,2-5,8-9H2,1H3,(H,23,24).
What are the key properties of N-[4-(2-ethoxyanilino)phenyl]cyclohexanecarboxamide?
N-[4-(2-ethoxyanilino)phenyl]cyclohexanecarboxamide has a molecular weight of 338.45 g/mol, XLogP of 5.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethoxyanilino)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 112987589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).