4-hexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide

C22H27NO3 — CID 19757563

IUPAC4-hexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide
SMILESCCCCCCc1ccc(C(=O)NCC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H27NO3/c1-3-4-5-6-7-17-8-10-19(11-9-17)22(25)23-16-21(24)18-12-14-20(26-2)15-13-18/h8-15H,3-7,16H2,1-2H3,(H,23,25)
InChIKeyBINAXFWKVDVGDW-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.43
Rot. Bonds10

About 4-hexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide

4-hexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide (PubChem CID 19757563) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 4-hexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-hexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide
PubChem CID19757563
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name4-hexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide
SMILESCCCCCCc1ccc(C(=O)NCC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H27NO3/c1-3-4-5-6-7-17-8-10-19(11-9-17)22(25)23-16-21(24)18-12-14-20(26-2)15-13-18/h8-15H,3-7,16H2,1-2H3,(H,23,25)
InChIKeyBINAXFWKVDVGDW-UHFFFAOYSA-N
XLogP4.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.43
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

N-[2-(4-methoxyanilino)-2-oxoethyl]-4-pentylbenzamide
CID 4016608
N-hexyl-4-methoxy(11C)benzamide
CID 177422178
4-methoxy-N-nonylbenzamide
CID 3557385
2-(4-butylphenyl)-1-(4-methoxyphenyl)ethanone
CID 86085296
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
4-methoxy-N-pentylbenzamide
CID 3113360
(4-methoxyphenyl)-phenylmethanone;(4-octylphenyl)-phenylmethanone
CID 67686863
methyl 4-[[2-oxo-2-(4-pentoxyphenyl)ethyl]carbamoyl]benzoate
CID 58428313
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
methyl 4-[3-(4-hexylphenyl)-3-oxopropanoyl]benzoate
CID 58428312
1-(4-hexylphenyl)-3-methoxypropan-1-one
CID 82050296
4-hydroxybenzoic acid;4-methoxybenzoic acid;4-pentylphenol
CID 70601165

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide?
The IUPAC name of 4-hexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide (CID 19757563) is 4-hexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-hexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide?
The canonical SMILES for 4-hexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide is CCCCCCc1ccc(C(=O)NCC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-hexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide?
The InChIKey is BINAXFWKVDVGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-3-4-5-6-7-17-8-10-19(11-9-17)22(25)23-16-21(24)18-12-14-20(26-2)15-13-18/h8-15H,3-7,16H2,1-2H3,(H,23,25).
What are the key properties of 4-hexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide?
4-hexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide has a molecular weight of 353.46 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide is sourced from PubChem (CID 19757563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).