4-butoxy-N-(2,2-dimethylpropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide

C19H28F3NO3 — CID 56531111

IUPAC4-butoxy-N-(2,2-dimethylpropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCCOc1ccc(C(=O)N(CC(C)(C)C)CC(F)(F)F)cc1OC
InChIInChI=1S/C19H28F3NO3/c1-6-7-10-26-15-9-8-14(11-16(15)25-5)17(24)23(12-18(2,3)4)13-19(20,21)22/h8-9,11H,6-7,10,12-13H2,1-5H3
InChIKeyWJNHEXOSUPAEFD-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.92
Rot. Bonds8

About 4-butoxy-N-(2,2-dimethylpropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide

4-butoxy-N-(2,2-dimethylpropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 56531111) has the molecular formula C19H28F3NO3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-butoxy-N-(2,2-dimethylpropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(2,2-dimethylpropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID56531111
Molecular FormulaC19H28F3NO3
Molecular Weight375.43 g/mol
Exact Mass375.20
IUPAC Name4-butoxy-N-(2,2-dimethylpropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCCOc1ccc(C(=O)N(CC(C)(C)C)CC(F)(F)F)cc1OC
InChIInChI=1S/C19H28F3NO3/c1-6-7-10-26-15-9-8-14(11-16(15)25-5)17(24)23(12-18(2,3)4)13-19(20,21)22/h8-9,11H,6-7,10,12-13H2,1-5H3
InChIKeyWJNHEXOSUPAEFD-UHFFFAOYSA-N
XLogP4.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.92
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-butyl-4-(difluoromethoxy)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 55661909
4-ethoxy-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51094536
N-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide
CID 119628351
3,4-dimethoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51094556
4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide
CID 56512309
4-butoxy-3-methoxybenzamide
CID 47102628
4-butoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 78800293
5-chloro-N-(2,2-dimethylpropyl)-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 56531101
4-butoxy-N-ethyl-3-methoxy-N-phenylbenzamide
CID 134028659
N-(2,2-dimethylpropyl)-4-[ethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 86890747
N-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide
CID 9295314
N-(2-acetamidoethyl)-4-butoxy-3-methoxybenzamide
CID 4880220

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(2,2-dimethylpropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-butoxy-N-(2,2-dimethylpropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide (CID 56531111) is 4-butoxy-N-(2,2-dimethylpropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-butoxy-N-(2,2-dimethylpropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-butoxy-N-(2,2-dimethylpropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide is CCCCOc1ccc(C(=O)N(CC(C)(C)C)CC(F)(F)F)cc1OC.
What is the InChIKey of 4-butoxy-N-(2,2-dimethylpropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is WJNHEXOSUPAEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3NO3/c1-6-7-10-26-15-9-8-14(11-16(15)25-5)17(24)23(12-18(2,3)4)13-19(20,21)22/h8-9,11H,6-7,10,12-13H2,1-5H3.
What are the key properties of 4-butoxy-N-(2,2-dimethylpropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide?
4-butoxy-N-(2,2-dimethylpropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 375.43 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(2,2-dimethylpropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 56531111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).