N-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide

C28H32N2O5 — CID 108795827

IUPACN-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCOc1ccc(CC)cc1
InChIInChI=1S/C28H32N2O5/c1-4-20-12-14-22(15-13-20)35-17-16-27(31)29-23-18-26(34-6-3)24(19-25(23)33-5-2)30-28(32)21-10-8-7-9-11-21/h7-15,18-19H,4-6,16-17H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyARWXGFBBSVUNQH-UHFFFAOYSA-N
MW476.57 g/mol
LogP5.71
Rot. Bonds12

About N-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide

N-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide (PubChem CID 108795827) has the molecular formula C28H32N2O5 and a molecular weight of 476.57 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide
PubChem CID108795827
Molecular FormulaC28H32N2O5
Molecular Weight476.57 g/mol
Exact Mass476.23
IUPAC NameN-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCOc1ccc(CC)cc1
InChIInChI=1S/C28H32N2O5/c1-4-20-12-14-22(15-13-20)35-17-16-27(31)29-23-18-26(34-6-3)24(19-25(23)33-5-2)30-28(32)21-10-8-7-9-11-21/h7-15,18-19H,4-6,16-17H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyARWXGFBBSVUNQH-UHFFFAOYSA-N
XLogP5.71
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.57
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2,5-diethoxy-4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]benzamide
CID 19237102
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265923
N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 19221311
N-[2,5-dimethoxy-4-[4-(4-propylphenoxy)butanoylamino]phenyl]benzamide
CID 19191483
N-[4-[3-[butyl(methyl)amino]propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 108795354
3-(4-ethylphenoxy)-N-(2-phenoxyphenyl)propanamide
CID 108795900
N-[2,5-diethoxy-4-(3-thiophen-3-ylpropanoylamino)phenyl]benzamide
CID 18282158
N-[4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180542
4-bromo-N-[2,5-diethoxy-4-(3-phenylpropanoylamino)phenyl]benzamide
CID 23800683
N-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 52734652
N-[2,5-dimethoxy-4-[3-(3-methylphenoxy)propanoylamino]phenyl]benzamide
CID 2604010

Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide?
The IUPAC name of N-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide (CID 108795827) is N-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide.
What is the SMILES notation for N-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide?
The canonical SMILES for N-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide is CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CCOc1ccc(CC)cc1.
What is the InChIKey of N-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide?
The InChIKey is ARWXGFBBSVUNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O5/c1-4-20-12-14-22(15-13-20)35-17-16-27(31)29-23-18-26(34-6-3)24(19-25(23)33-5-2)30-28(32)21-10-8-7-9-11-21/h7-15,18-19H,4-6,16-17H2,1-3H3,(H,29,31)(H,30,32).
What are the key properties of N-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide?
N-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide has a molecular weight of 476.57 g/mol, XLogP of 5.71, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide is sourced from PubChem (CID 108795827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).