N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide

C20H29F3N2O3 — CID 112811006

IUPACN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)C(C)NC1CCCCC1C
InChIInChI=1S/C20H29F3N2O3/c1-13-6-4-5-7-16(13)24-14(2)19(26)25-17-12-15(20(21,22)23)8-9-18(17)28-11-10-27-3/h8-9,12-14,16,24H,4-7,10-11H2,1-3H3,(H,25,26)
InChIKeyVAYJVGMIJRCHFP-UHFFFAOYSA-N
MW402.46 g/mol
LogP4.23
Rot. Bonds8

About N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide (PubChem CID 112811006) has the molecular formula C20H29F3N2O3 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide
PubChem CID112811006
Molecular FormulaC20H29F3N2O3
Molecular Weight402.46 g/mol
Exact Mass402.21
IUPAC NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)C(C)NC1CCCCC1C
InChIInChI=1S/C20H29F3N2O3/c1-13-6-4-5-7-16(13)24-14(2)19(26)25-17-12-15(20(21,22)23)8-9-18(17)28-11-10-27-3/h8-9,12-14,16,24H,4-7,10-11H2,1-3H3,(H,25,26)
InChIKeyVAYJVGMIJRCHFP-UHFFFAOYSA-N
XLogP4.23
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylpentanamide
CID 112765286
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 112765279
2-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 78777880
1-(2,2-dimethylpropanoyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 33228480
2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 52847984
3,5-dimethoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 2671998
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 17439153
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 55360342
N-(2,4-dichlorophenyl)-2-[(2-methylcyclohexyl)amino]propanamide
CID 78636184
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 2446516
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 17454228
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-[(E)-methoxyiminomethyl]benzamide
CID 78778220

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide (CID 112811006) is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide is COCCOc1ccc(C(F)(F)F)cc1NC(=O)C(C)NC1CCCCC1C.
What is the InChIKey of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide?
The InChIKey is VAYJVGMIJRCHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F3N2O3/c1-13-6-4-5-7-16(13)24-14(2)19(26)25-17-12-15(20(21,22)23)8-9-18(17)28-11-10-27-3/h8-9,12-14,16,24H,4-7,10-11H2,1-3H3,(H,25,26).
What are the key properties of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide?
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide has a molecular weight of 402.46 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[(2-methylcyclohexyl)amino]propanamide is sourced from PubChem (CID 112811006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).