4-amino-3-methoxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]butanamide

C18H25F3N2O3 — CID 120590246

IUPAC4-amino-3-methoxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]butanamide
SMILESCOC(CN)CC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1
InChIInChI=1S/C18H25F3N2O3/c1-25-15(11-22)10-16(24)23-12-17(5-7-26-8-6-17)13-3-2-4-14(9-13)18(19,20)21/h2-4,9,15H,5-8,10-12,22H2,1H3,(H,23,24)
InChIKeyALTOBZWRMIYRTI-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.23
Rot. Bonds7

About 4-amino-3-methoxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]butanamide

4-amino-3-methoxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]butanamide (PubChem CID 120590246) has the molecular formula C18H25F3N2O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]butanamide
PubChem CID120590246
Molecular FormulaC18H25F3N2O3
Molecular Weight374.40 g/mol
Exact Mass374.18
IUPAC Name4-amino-3-methoxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]butanamide
SMILESCOC(CN)CC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1
InChIInChI=1S/C18H25F3N2O3/c1-25-15(11-22)10-16(24)23-12-17(5-7-26-8-6-17)13-3-2-4-14(9-13)18(19,20)21/h2-4,9,15H,5-8,10-12,22H2,1H3,(H,23,24)
InChIKeyALTOBZWRMIYRTI-UHFFFAOYSA-N
XLogP2.23
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-3-methoxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]butanamide with MolForge

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Related Compounds

4-amino-3-methoxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]butanamide;hydrochloride
CID 120593447
3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]butanamide
CID 119772778
4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide
CID 120593516
4-amino-3-methoxy-N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]butanamide
CID 120592015
4-amino-3-methoxy-N-[(1-phenylcyclobutyl)methyl]butanamide
CID 120587665
1-[(1S)-1-cyclopropylethyl]-3-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]urea
CID 94656629
2-naphthalen-2-yloxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]acetamide
CID 60571880
2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]acetamide;hydrochloride
CID 119335841
4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide
CID 120561385
1-(2-methoxy-2-methylpropyl)-2-methyl-3-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]guanidine
CID 111606815
N-tert-butyl-2-[[N'-methyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111385087
2-(2-methoxyethylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]acetamide
CID 119772784

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]butanamide (CID 120590246) is 4-amino-3-methoxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]butanamide is COC(CN)CC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1.
What is the InChIKey of 4-amino-3-methoxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]butanamide?
The InChIKey is ALTOBZWRMIYRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O3/c1-25-15(11-22)10-16(24)23-12-17(5-7-26-8-6-17)13-3-2-4-14(9-13)18(19,20)21/h2-4,9,15H,5-8,10-12,22H2,1H3,(H,23,24).
What are the key properties of 4-amino-3-methoxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]butanamide?
4-amino-3-methoxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]butanamide has a molecular weight of 374.40 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]butanamide is sourced from PubChem (CID 120590246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).