4-methoxy-N-(3-methoxypropylcarbamoyl)-5-phenylmethoxy-2-(trifluoromethyl)benzamide

C21H23F3N2O5 — CID 143825452

IUPAC4-methoxy-N-(3-methoxypropylcarbamoyl)-5-phenylmethoxy-2-(trifluoromethyl)benzamide
SMILESCOCCCNC(=O)NC(=O)c1cc(OCc2ccccc2)c(OC)cc1C(F)(F)F
InChIInChI=1S/C21H23F3N2O5/c1-29-10-6-9-25-20(28)26-19(27)15-11-18(31-13-14-7-4-3-5-8-14)17(30-2)12-16(15)21(22,23)24/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H2,25,26,27,28)
InChIKeyBBCAKTLLJKQZLE-UHFFFAOYSA-N
MW440.42 g/mol
LogP3.77
Rot. Bonds9

About 4-methoxy-N-(3-methoxypropylcarbamoyl)-5-phenylmethoxy-2-(trifluoromethyl)benzamide

4-methoxy-N-(3-methoxypropylcarbamoyl)-5-phenylmethoxy-2-(trifluoromethyl)benzamide (PubChem CID 143825452) has the molecular formula C21H23F3N2O5 and a molecular weight of 440.42 g/mol. Its IUPAC name is 4-methoxy-N-(3-methoxypropylcarbamoyl)-5-phenylmethoxy-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(3-methoxypropylcarbamoyl)-5-phenylmethoxy-2-(trifluoromethyl)benzamide
PubChem CID143825452
Molecular FormulaC21H23F3N2O5
Molecular Weight440.42 g/mol
Exact Mass440.16
IUPAC Name4-methoxy-N-(3-methoxypropylcarbamoyl)-5-phenylmethoxy-2-(trifluoromethyl)benzamide
SMILESCOCCCNC(=O)NC(=O)c1cc(OCc2ccccc2)c(OC)cc1C(F)(F)F
InChIInChI=1S/C21H23F3N2O5/c1-29-10-6-9-25-20(28)26-19(27)15-11-18(31-13-14-7-4-3-5-8-14)17(30-2)12-16(15)21(22,23)24/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H2,25,26,27,28)
InChIKeyBBCAKTLLJKQZLE-UHFFFAOYSA-N
XLogP3.77
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[di(propan-2-yl)carbamoyl]-4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)benzamide
CID 70261926
N-(3-ethoxypropylcarbamoyl)-5-hydroxy-4-methoxy-2-(trifluoromethyl)benzamide
CID 70260452
2-bromo-1-[4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)phenyl]ethanone;1-[4-methoxy-5-phenylmethoxy-2-(trifluoromethyl)phenyl]ethanone
CID 158418562
5-methoxy-4-(3-methoxypropoxy)-2-phenylmethoxybenzoyl chloride
CID 146330375
3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide
CID 55431173
3-bromo-5-methoxy-N-(3-methoxypropyl)-4-phenylmethoxybenzamide
CID 4602601
1-(2-hydroxy-4-methoxy-5-phenylmethoxyphenyl)ethanone
CID 14235165
2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone
CID 83951245
2-[4-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 24574969
1-(cyclopropylmethyl)-3-[1-[4-ethyl-5-phenylmethoxy-2-(trifluoromethyl)phenyl]ethenyl]urea
CID 143825374
methyl 5-methoxy-2-(methoxymethoxy)-4-phenylmethoxybenzoate
CID 10936482
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methoxypropylcarbamoyl)-5-phenylmethoxy-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-methoxy-N-(3-methoxypropylcarbamoyl)-5-phenylmethoxy-2-(trifluoromethyl)benzamide (CID 143825452) is 4-methoxy-N-(3-methoxypropylcarbamoyl)-5-phenylmethoxy-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(3-methoxypropylcarbamoyl)-5-phenylmethoxy-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-methoxy-N-(3-methoxypropylcarbamoyl)-5-phenylmethoxy-2-(trifluoromethyl)benzamide is COCCCNC(=O)NC(=O)c1cc(OCc2ccccc2)c(OC)cc1C(F)(F)F.
What is the InChIKey of 4-methoxy-N-(3-methoxypropylcarbamoyl)-5-phenylmethoxy-2-(trifluoromethyl)benzamide?
The InChIKey is BBCAKTLLJKQZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O5/c1-29-10-6-9-25-20(28)26-19(27)15-11-18(31-13-14-7-4-3-5-8-14)17(30-2)12-16(15)21(22,23)24/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 4-methoxy-N-(3-methoxypropylcarbamoyl)-5-phenylmethoxy-2-(trifluoromethyl)benzamide?
4-methoxy-N-(3-methoxypropylcarbamoyl)-5-phenylmethoxy-2-(trifluoromethyl)benzamide has a molecular weight of 440.42 g/mol, XLogP of 3.77, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methoxypropylcarbamoyl)-5-phenylmethoxy-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 143825452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).