4-amino-N-ethyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide

C16H23F3N2O2 — CID 120592804

IUPAC4-amino-N-ethyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
SMILESCCN(C(=O)CC(CN)OC)C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2O2/c1-4-21(15(22)9-14(10-20)23-3)11(2)12-6-5-7-13(8-12)16(17,18)19/h5-8,11,14H,4,9-10,20H2,1-3H3
InChIKeyBPHGTSXQJXBXTL-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.98
Rot. Bonds7

About 4-amino-N-ethyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide

4-amino-N-ethyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide (PubChem CID 120592804) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
PubChem CID120592804
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC Name4-amino-N-ethyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
SMILESCCN(C(=O)CC(CN)OC)C(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2O2/c1-4-21(15(22)9-14(10-20)23-3)11(2)12-6-5-7-13(8-12)16(17,18)19/h5-8,11,14H,4,9-10,20H2,1-3H3
InChIKeyBPHGTSXQJXBXTL-UHFFFAOYSA-N
XLogP2.98
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-cyclopropyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 120589542
N-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 95571773
N-ethyl-2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 119794790
3-(2-aminophenyl)-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 120611042
4-amino-3-methoxy-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 120591392
4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 120591390
N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)phenyl]butanamide
CID 119581679
3-amino-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119794789
N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 119329896
ethyl 2-[1-[3-(trifluoromethyl)phenyl]ethylamino]propanoate
CID 61498388
2-amino-N-ethyl-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119295043
3-amino-N-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 174935648

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide?
The IUPAC name of 4-amino-N-ethyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide (CID 120592804) is 4-amino-N-ethyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide.
What is the SMILES notation for 4-amino-N-ethyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide?
The canonical SMILES for 4-amino-N-ethyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide is CCN(C(=O)CC(CN)OC)C(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-amino-N-ethyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide?
The InChIKey is BPHGTSXQJXBXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-4-21(15(22)9-14(10-20)23-3)11(2)12-6-5-7-13(8-12)16(17,18)19/h5-8,11,14H,4,9-10,20H2,1-3H3.
What are the key properties of 4-amino-N-ethyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide?
4-amino-N-ethyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide has a molecular weight of 332.37 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide is sourced from PubChem (CID 120592804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).