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

C16H21F3N2O2 — CID 120593516

IUPAC4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide
SMILESCOC(CN)CC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C16H21F3N2O2/c1-23-13(10-20)9-14(22)21-15(6-3-7-15)11-4-2-5-12(8-11)16(17,18)19/h2,4-5,8,13H,3,6-7,9-10,20H2,1H3,(H,21,22)
InChIKeyOGNKTBGIKWYBNE-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.56
Rot. Bonds6

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

4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide (PubChem CID 120593516) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide
PubChem CID120593516
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide
SMILESCOC(CN)CC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C16H21F3N2O2/c1-23-13(10-20)9-14(22)21-15(6-3-7-15)11-4-2-5-12(8-11)16(17,18)19/h2,4-5,8,13H,3,6-7,9-10,20H2,1H3,(H,21,22)
InChIKeyOGNKTBGIKWYBNE-UHFFFAOYSA-N
XLogP2.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]butanamide;hydrochloride
CID 120593447
4-amino-3-methoxy-N-[1-(3-methylphenyl)cyclopentyl]butanamide
CID 120591466
4-amino-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentanamide
CID 120563496
2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide;hydrochloride
CID 119806409
methyl N-[3-oxo-3-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]amino]propyl]carbamate
CID 71998913
4-amino-3-methoxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]butanamide
CID 120590246
2-(4-aminophenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide
CID 119806400
3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide
CID 119806424
4-amino-N-[1-(4-bromophenyl)cyclobutyl]-3-methoxybutanamide;hydrochloride
CID 120589748
2-methyl-3-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide;hydrochloride
CID 119806417
5-amino-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]benzamide
CID 120636519
2,4,5-trimethoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]benzamide
CID 166186485

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide (CID 120593516) is 4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide is COC(CN)CC(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of 4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide?
The InChIKey is OGNKTBGIKWYBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-23-13(10-20)9-14(22)21-15(6-3-7-15)11-4-2-5-12(8-11)16(17,18)19/h2,4-5,8,13H,3,6-7,9-10,20H2,1H3,(H,21,22).
What are the key properties of 4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide?
4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide has a molecular weight of 330.35 g/mol, XLogP of 2.56, 6 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]cyclobutyl]butanamide is sourced from PubChem (CID 120593516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).