N,N-di(propan-2-yl)-4-(trifluoromethoxy)benzamide;ethane

C18H30F3NO2 — CID 143270772

IUPACN,N-di(propan-2-yl)-4-(trifluoromethoxy)benzamide;ethane
SMILESCC.CC.CC(C)N(C(=O)c1ccc(OC(F)(F)F)cc1)C(C)C
InChIInChI=1S/C14H18F3NO2.2C2H6/c1-9(2)18(10(3)4)13(19)11-5-7-12(8-6-11)20-14(15,16)17;2*1-2/h5-10H,1-4H3;2*1-2H3
InChIKeyAQLMQPSYXHUCQP-UHFFFAOYSA-N
MW349.44 g/mol
LogP5.90
Rot. Bonds4

About N,N-di(propan-2-yl)-4-(trifluoromethoxy)benzamide;ethane

N,N-di(propan-2-yl)-4-(trifluoromethoxy)benzamide;ethane (PubChem CID 143270772) has the molecular formula C18H30F3NO2 and a molecular weight of 349.44 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-4-(trifluoromethoxy)benzamide;ethane.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-4-(trifluoromethoxy)benzamide;ethane
PubChem CID143270772
Molecular FormulaC18H30F3NO2
Molecular Weight349.44 g/mol
Exact Mass349.22
IUPAC NameN,N-di(propan-2-yl)-4-(trifluoromethoxy)benzamide;ethane
SMILESCC.CC.CC(C)N(C(=O)c1ccc(OC(F)(F)F)cc1)C(C)C
InChIInChI=1S/C14H18F3NO2.2C2H6/c1-9(2)18(10(3)4)13(19)11-5-7-12(8-6-11)20-14(15,16)17;2*1-2/h5-10H,1-4H3;2*1-2H3
InChIKeyAQLMQPSYXHUCQP-UHFFFAOYSA-N
XLogP5.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyethyl)-N-propan-2-yl-4-(trifluoromethoxy)benzamide
CID 43573749
N,N-ditert-butyl-4-(trifluoromethoxy)benzamide
CID 59614232
3-[propan-2-yl-[4-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 119207584
N-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide
CID 55469129
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
N-methyl-4-propan-2-ylsulfonyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 55761591
N-[(2S)-2-cyanopropyl]-N-ethyl-4-(trifluoromethoxy)benzamide
CID 94810071
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
N-(2-aminopropyl)-4-(trifluoromethoxy)benzamide
CID 116629079
3-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 60988631
phosphanyl-[4-(trifluoromethoxy)phenyl]methanone
CID 170761962
CID 59303798
CID 59303798

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-4-(trifluoromethoxy)benzamide;ethane?
The IUPAC name of N,N-di(propan-2-yl)-4-(trifluoromethoxy)benzamide;ethane (CID 143270772) is N,N-di(propan-2-yl)-4-(trifluoromethoxy)benzamide;ethane.
What is the SMILES notation for N,N-di(propan-2-yl)-4-(trifluoromethoxy)benzamide;ethane?
The canonical SMILES for N,N-di(propan-2-yl)-4-(trifluoromethoxy)benzamide;ethane is CC.CC.CC(C)N(C(=O)c1ccc(OC(F)(F)F)cc1)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-4-(trifluoromethoxy)benzamide;ethane?
The InChIKey is AQLMQPSYXHUCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2.2C2H6/c1-9(2)18(10(3)4)13(19)11-5-7-12(8-6-11)20-14(15,16)17;2*1-2/h5-10H,1-4H3;2*1-2H3.
What are the key properties of N,N-di(propan-2-yl)-4-(trifluoromethoxy)benzamide;ethane?
N,N-di(propan-2-yl)-4-(trifluoromethoxy)benzamide;ethane has a molecular weight of 349.44 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-4-(trifluoromethoxy)benzamide;ethane is sourced from PubChem (CID 143270772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).