N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]nonanamide

C27H36F3NO3 — CID 4235664

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]nonanamide
SMILESCCCCCCCCC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H36F3NO3/c1-4-5-6-7-8-9-10-26(32)31(20-22-11-14-23(15-12-22)27(28,29)30)18-17-21-13-16-24(33-2)25(19-21)34-3/h11-16,19H,4-10,17-18,20H2,1-3H3
InChIKeyQPIRSUXQGFQGHV-UHFFFAOYSA-N
MW479.58 g/mol
LogP7.04
Rot. Bonds14

About N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]nonanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]nonanamide (PubChem CID 4235664) has the molecular formula C27H36F3NO3 and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]nonanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]nonanamide
PubChem CID4235664
Molecular FormulaC27H36F3NO3
Molecular Weight479.58 g/mol
Exact Mass479.26
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]nonanamide
SMILESCCCCCCCCC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H36F3NO3/c1-4-5-6-7-8-9-10-26(32)31(20-22-11-14-23(15-12-22)27(28,29)30)18-17-21-13-16-24(33-2)25(19-21)34-3/h11-16,19H,4-10,17-18,20H2,1-3H3
InChIKeyQPIRSUXQGFQGHV-UHFFFAOYSA-N
XLogP7.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[benzyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]tetradecanamide
CID 42702423
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methyl-3-phenylprop-2-enyl)octanamide
CID 4694083
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)nonanamide
CID 4308639
[5-[[decanoyl(2-methoxyethyl)amino]methyl]-2-methoxyphenyl] methanesulfonate
CID 5002481
6-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-3-ylmethyl)hexanamide
CID 5094204
N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide
CID 71106778
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide
CID 42665209
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-(trifluoromethyl)benzamide
CID 4542241
N-butyl-N-[(3,4-dimethoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 18736111
N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]dodecanamide
CID 42664580
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)octanamide
CID 5108583
2-[butyl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(thiophen-2-ylmethyl)acetamide
CID 5224407

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]nonanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]nonanamide (CID 4235664) is N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]nonanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]nonanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]nonanamide is CCCCCCCCC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]nonanamide?
The InChIKey is QPIRSUXQGFQGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36F3NO3/c1-4-5-6-7-8-9-10-26(32)31(20-22-11-14-23(15-12-22)27(28,29)30)18-17-21-13-16-24(33-2)25(19-21)34-3/h11-16,19H,4-10,17-18,20H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]nonanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]nonanamide has a molecular weight of 479.58 g/mol, XLogP of 7.04, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]nonanamide is sourced from PubChem (CID 4235664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).