N-[4-(2-cyclohexylethoxy)phenyl]-4-heptoxybenzamide

C28H39NO3 — CID 17137747

IUPACN-[4-(2-cyclohexylethoxy)phenyl]-4-heptoxybenzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2ccc(OCCC3CCCCC3)cc2)cc1
InChIInChI=1S/C28H39NO3/c1-2-3-4-5-9-21-31-26-16-12-24(13-17-26)28(30)29-25-14-18-27(19-15-25)32-22-20-23-10-7-6-8-11-23/h12-19,23H,2-11,20-22H2,1H3,(H,29,30)
InChIKeyKZUWQYRZAIHCHX-UHFFFAOYSA-N
MW437.62 g/mol
LogP7.64
Rot. Bonds13

About N-[4-(2-cyclohexylethoxy)phenyl]-4-heptoxybenzamide

N-[4-(2-cyclohexylethoxy)phenyl]-4-heptoxybenzamide (PubChem CID 17137747) has the molecular formula C28H39NO3 and a molecular weight of 437.62 g/mol. Its IUPAC name is N-[4-(2-cyclohexylethoxy)phenyl]-4-heptoxybenzamide.

Molecular Properties

Compound NameN-[4-(2-cyclohexylethoxy)phenyl]-4-heptoxybenzamide
PubChem CID17137747
Molecular FormulaC28H39NO3
Molecular Weight437.62 g/mol
Exact Mass437.29
IUPAC NameN-[4-(2-cyclohexylethoxy)phenyl]-4-heptoxybenzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2ccc(OCCC3CCCCC3)cc2)cc1
InChIInChI=1S/C28H39NO3/c1-2-3-4-5-9-21-31-26-16-12-24(13-17-26)28(30)29-25-14-18-27(19-15-25)32-22-20-23-10-7-6-8-11-23/h12-19,23H,2-11,20-22H2,1H3,(H,29,30)
InChIKeyKZUWQYRZAIHCHX-UHFFFAOYSA-N
XLogP7.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.62
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[4-(2-cyclohexylethoxy)phenyl]benzamide
CID 17137638
N-[4-(2-cyclohexylethoxy)phenyl]-4-propan-2-ylbenzamide
CID 17177481
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
2-cyclopentyl-N-(4-hexoxyphenyl)acetamide
CID 54786135
N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]tetradecanamide
CID 54791321
N-[4-(2-cyclohexylethoxy)phenyl]propanamide
CID 17137644
cyclohexyl 4-[(4-propoxybenzoyl)amino]benzoate
CID 17128650
N-cyclohexyl-4-[(4-heptoxybenzoyl)carbamothioylamino]benzamide
CID 43878562
N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]hexanamide
CID 17137889
N-cyclohexyl-4-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
CID 54820151
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17218814

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyclohexylethoxy)phenyl]-4-heptoxybenzamide?
The IUPAC name of N-[4-(2-cyclohexylethoxy)phenyl]-4-heptoxybenzamide (CID 17137747) is N-[4-(2-cyclohexylethoxy)phenyl]-4-heptoxybenzamide.
What is the SMILES notation for N-[4-(2-cyclohexylethoxy)phenyl]-4-heptoxybenzamide?
The canonical SMILES for N-[4-(2-cyclohexylethoxy)phenyl]-4-heptoxybenzamide is CCCCCCCOc1ccc(C(=O)Nc2ccc(OCCC3CCCCC3)cc2)cc1.
What is the InChIKey of N-[4-(2-cyclohexylethoxy)phenyl]-4-heptoxybenzamide?
The InChIKey is KZUWQYRZAIHCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39NO3/c1-2-3-4-5-9-21-31-26-16-12-24(13-17-26)28(30)29-25-14-18-27(19-15-25)32-22-20-23-10-7-6-8-11-23/h12-19,23H,2-11,20-22H2,1H3,(H,29,30).
What are the key properties of N-[4-(2-cyclohexylethoxy)phenyl]-4-heptoxybenzamide?
N-[4-(2-cyclohexylethoxy)phenyl]-4-heptoxybenzamide has a molecular weight of 437.62 g/mol, XLogP of 7.64, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyclohexylethoxy)phenyl]-4-heptoxybenzamide is sourced from PubChem (CID 17137747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).