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

C16H23F3N2O2 — CID 120591390

IUPAC4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]butyl]butanamide
SMILESCCCC(NC(=O)CC(CN)OC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2O2/c1-3-5-14(21-15(22)9-13(10-20)23-2)11-6-4-7-12(8-11)16(17,18)19/h4,6-8,13-14H,3,5,9-10,20H2,1-2H3,(H,21,22)
InChIKeyIPBRIWOSKLQKOV-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.03
Rot. Bonds8

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

4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]butyl]butanamide (PubChem CID 120591390) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]butyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]butyl]butanamide
PubChem CID120591390
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC Name4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]butyl]butanamide
SMILESCCCC(NC(=O)CC(CN)OC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H23F3N2O2/c1-3-5-14(21-15(22)9-13(10-20)23-2)11-6-4-7-12(8-11)16(17,18)19/h4,6-8,13-14H,3,5,9-10,20H2,1-2H3,(H,21,22)
InChIKeyIPBRIWOSKLQKOV-UHFFFAOYSA-N
XLogP3.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 120591392
2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]sulfanylacetamide
CID 56823666
(2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride
CID 119315290
4-oxo-4-phenyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 52523148
N-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]-2-phenylacetamide
CID 51134582
3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]propanamide
CID 52514675
methyl 4-[(4-amino-3-methoxybutanoyl)amino]-4-phenylbutanoate
CID 120591892
4-amino-N-ethyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 120592804
3-(methoxymethyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]benzamide
CID 52513780
4-amino-3-methoxy-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]butanamide;hydrochloride
CID 120592787
methyl (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoate
CID 29059445
3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 119948966

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]butyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]butyl]butanamide (CID 120591390) is 4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]butyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]butyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]butyl]butanamide is CCCC(NC(=O)CC(CN)OC)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]butyl]butanamide?
The InChIKey is IPBRIWOSKLQKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-3-5-14(21-15(22)9-13(10-20)23-2)11-6-4-7-12(8-11)16(17,18)19/h4,6-8,13-14H,3,5,9-10,20H2,1-2H3,(H,21,22).
What are the key properties of 4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]butyl]butanamide?
4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]butyl]butanamide has a molecular weight of 332.37 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]butyl]butanamide is sourced from PubChem (CID 120591390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).