N-[4-(dimethylamino)butyl]-N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide

C24H31F3N2O2 — CID 14405526

IUPACN-[4-(dimethylamino)butyl]-N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide
SMILESCC(C)COc1ccccc1N(CCCCN(C)C)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H31F3N2O2/c1-18(2)17-31-22-13-6-5-12-21(22)29(15-8-7-14-28(3)4)23(30)19-10-9-11-20(16-19)24(25,26)27/h5-6,9-13,16,18H,7-8,14-15,17H2,1-4H3
InChIKeyGCMXHOMSKIXIMB-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.73
Rot. Bonds10

About N-[4-(dimethylamino)butyl]-N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide

N-[4-(dimethylamino)butyl]-N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 14405526) has the molecular formula C24H31F3N2O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[4-(dimethylamino)butyl]-N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butyl]-N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID14405526
Molecular FormulaC24H31F3N2O2
Molecular Weight436.52 g/mol
Exact Mass436.23
IUPAC NameN-[4-(dimethylamino)butyl]-N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide
SMILESCC(C)COc1ccccc1N(CCCCN(C)C)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H31F3N2O2/c1-18(2)17-31-22-13-6-5-12-21(22)29(15-8-7-14-28(3)4)23(30)19-10-9-11-20(16-19)24(25,26)27/h5-6,9-13,16,18H,7-8,14-15,17H2,1-4H3
InChIKeyGCMXHOMSKIXIMB-UHFFFAOYSA-N
XLogP5.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.73
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-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 14405584
but-2-enedioic acid;2,5-dichloro-N-[4-(dimethylamino)butyl]-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 67931454
3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 11000484
N-[3-(dimethylamino)propyl]-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-(trifluoromethyl)benzamide
CID 18564029
N,N-dimethyl-6,6-bis[3-(trifluoromethyl)phenyl]hex-5-en-1-amine
CID 135398356
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-(trifluoromethyl)benzamide
CID 41076614
N-decyl-N-ethyl-3-(trifluoromethyl)benzamide
CID 91726464
N-[[4-(2-methylpropoxy)phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 4520620
N-(3-bromopropyl)-N-ethyl-3-(trifluoromethyl)benzamide
CID 113469197
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(trifluoromethyl)benzamide
CID 42695653
3-[[3-(2-methylpropoxy)benzoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167969
3-bromo-N-[2-(N-[3-bromo-4-(2-methylpropoxy)benzoyl]anilino)ethyl]-4-(2-methylpropoxy)-N-phenylbenzamide
CID 17352584

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butyl]-N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(dimethylamino)butyl]-N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide (CID 14405526) is N-[4-(dimethylamino)butyl]-N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(dimethylamino)butyl]-N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(dimethylamino)butyl]-N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide is CC(C)COc1ccccc1N(CCCCN(C)C)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[4-(dimethylamino)butyl]-N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is GCMXHOMSKIXIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N2O2/c1-18(2)17-31-22-13-6-5-12-21(22)29(15-8-7-14-28(3)4)23(30)19-10-9-11-20(16-19)24(25,26)27/h5-6,9-13,16,18H,7-8,14-15,17H2,1-4H3.
What are the key properties of N-[4-(dimethylamino)butyl]-N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-(dimethylamino)butyl]-N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 436.52 g/mol, XLogP of 5.73, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butyl]-N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 14405526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).