N-[4-(2-cyclohexylethoxy)phenyl]-4-propan-2-ylbenzamide

C24H31NO2 — CID 17177481

IUPACN-[4-(2-cyclohexylethoxy)phenyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2ccc(OCCC3CCCCC3)cc2)cc1
InChIInChI=1S/C24H31NO2/c1-18(2)20-8-10-21(11-9-20)24(26)25-22-12-14-23(15-13-22)27-17-16-19-6-4-3-5-7-19/h8-15,18-19H,3-7,16-17H2,1-2H3,(H,25,26)
InChIKeyPNWLLPJJYBBTGP-UHFFFAOYSA-N
MW365.52 g/mol
LogP6.41
Rot. Bonds7

About N-[4-(2-cyclohexylethoxy)phenyl]-4-propan-2-ylbenzamide

N-[4-(2-cyclohexylethoxy)phenyl]-4-propan-2-ylbenzamide (PubChem CID 17177481) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[4-(2-cyclohexylethoxy)phenyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[4-(2-cyclohexylethoxy)phenyl]-4-propan-2-ylbenzamide
PubChem CID17177481
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC NameN-[4-(2-cyclohexylethoxy)phenyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2ccc(OCCC3CCCCC3)cc2)cc1
InChIInChI=1S/C24H31NO2/c1-18(2)20-8-10-21(11-9-20)24(26)25-22-12-14-23(15-13-22)27-17-16-19-6-4-3-5-7-19/h8-15,18-19H,3-7,16-17H2,1-2H3,(H,25,26)
InChIKeyPNWLLPJJYBBTGP-UHFFFAOYSA-N
XLogP6.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[4-(2-cyclohexylethoxy)phenyl]benzamide
CID 17137638
N-[4-(2-cyclohexylethoxy)phenyl]-4-heptoxybenzamide
CID 17137747
N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17137887
4-propan-2-yl-N-(4-propoxyphenyl)benzamide
CID 17177442
3-bromo-N-[4-(2-cyclohexylethoxy)phenyl]-4-(2-methylpropoxy)benzamide
CID 17137779
1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109044795
4-ethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 673574
methyl 4-[[4-(2-cyclohexylethoxy)phenyl]carbamothioylcarbamoyl]benzoate
CID 17178646
N-[4-(2-cyclohexylethoxy)phenyl]propanamide
CID 17137644
N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 17137888
4-propan-2-yl-N-(4-prop-2-enoxyphenyl)benzamide
CID 17177445
2-[4-(2-cyclopentylethoxy)phenyl]propanoic acid
CID 143002013

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyclohexylethoxy)phenyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[4-(2-cyclohexylethoxy)phenyl]-4-propan-2-ylbenzamide (CID 17177481) is N-[4-(2-cyclohexylethoxy)phenyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[4-(2-cyclohexylethoxy)phenyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[4-(2-cyclohexylethoxy)phenyl]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)Nc2ccc(OCCC3CCCCC3)cc2)cc1.
What is the InChIKey of N-[4-(2-cyclohexylethoxy)phenyl]-4-propan-2-ylbenzamide?
The InChIKey is PNWLLPJJYBBTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-18(2)20-8-10-21(11-9-20)24(26)25-22-12-14-23(15-13-22)27-17-16-19-6-4-3-5-7-19/h8-15,18-19H,3-7,16-17H2,1-2H3,(H,25,26).
What are the key properties of N-[4-(2-cyclohexylethoxy)phenyl]-4-propan-2-ylbenzamide?
N-[4-(2-cyclohexylethoxy)phenyl]-4-propan-2-ylbenzamide has a molecular weight of 365.52 g/mol, XLogP of 6.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyclohexylethoxy)phenyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 17177481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).