N-tert-butyl-2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]propanamide

C18H27F3N2O3 — CID 119106874

IUPACN-tert-butyl-2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]propanamide
SMILESCCOc1cc(CNC(C)C(=O)NC(C)(C)C)ccc1OCC(F)(F)F
InChIInChI=1S/C18H27F3N2O3/c1-6-25-15-9-13(7-8-14(15)26-11-18(19,20)21)10-22-12(2)16(24)23-17(3,4)5/h7-9,12,22H,6,10-11H2,1-5H3,(H,23,24)
InChIKeyHAVPLJACMFSKJW-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.42
Rot. Bonds8

About N-tert-butyl-2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]propanamide

N-tert-butyl-2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]propanamide (PubChem CID 119106874) has the molecular formula C18H27F3N2O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-tert-butyl-2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]propanamide
PubChem CID119106874
Molecular FormulaC18H27F3N2O3
Molecular Weight376.42 g/mol
Exact Mass376.20
IUPAC NameN-tert-butyl-2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]propanamide
SMILESCCOc1cc(CNC(C)C(=O)NC(C)(C)C)ccc1OCC(F)(F)F
InChIInChI=1S/C18H27F3N2O3/c1-6-25-15-9-13(7-8-14(15)26-11-18(19,20)21)10-22-12(2)16(24)23-17(3,4)5/h7-9,12,22H,6,10-11H2,1-5H3,(H,23,24)
InChIKeyHAVPLJACMFSKJW-UHFFFAOYSA-N
XLogP3.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide
CID 75494674
[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 28561734
N-tert-butyl-2-[2-ethoxy-4-[(2-methylpropylamino)methyl]phenoxy]acetamide
CID 4717022
N-[4-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methylamino]phenyl]-2-methylpropanamide
CID 66525577
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CID 115693123
N-tert-butyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 115588909
N-[(3-ethoxy-4-methoxyphenyl)methyl]-4,4,4-trifluorobutan-2-amine
CID 103783679
N-tert-butyl-2-[(4-methylphenyl)methylamino]propanamide
CID 43087569
2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119182578
3-[[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]methyl]-N-methylbenzamide
CID 119106804
N-tert-butyl-2-[(4-trimethylsilylphenyl)methylamino]propanamide
CID 103438042
N-tert-butyl-2-[2-ethoxy-4-[(3-propan-2-yloxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17208960

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]propanamide?
The IUPAC name of N-tert-butyl-2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]propanamide (CID 119106874) is N-tert-butyl-2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]propanamide?
The canonical SMILES for N-tert-butyl-2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]propanamide is CCOc1cc(CNC(C)C(=O)NC(C)(C)C)ccc1OCC(F)(F)F.
What is the InChIKey of N-tert-butyl-2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]propanamide?
The InChIKey is HAVPLJACMFSKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N2O3/c1-6-25-15-9-13(7-8-14(15)26-11-18(19,20)21)10-22-12(2)16(24)23-17(3,4)5/h7-9,12,22H,6,10-11H2,1-5H3,(H,23,24).
What are the key properties of N-tert-butyl-2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]propanamide?
N-tert-butyl-2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]propanamide has a molecular weight of 376.42 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]propanamide is sourced from PubChem (CID 119106874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).