N-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide

C15H20F3NO2 — CID 47015106

IUPACN-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)OCCCNC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO2/c1-11(2)21-9-3-8-19-14(20)10-12-4-6-13(7-5-12)15(16,17)18/h4-7,11H,3,8-10H2,1-2H3,(H,19,20)
InChIKeyZWJWVGAYXIHUMU-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.18
Rot. Bonds7

About N-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide

N-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 47015106) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID47015106
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC NameN-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)OCCCNC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3NO2/c1-11(2)21-9-3-8-19-14(20)10-12-4-6-13(7-5-12)15(16,17)18/h4-7,11H,3,8-10H2,1-2H3,(H,19,20)
InChIKeyZWJWVGAYXIHUMU-UHFFFAOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(methylamino)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115395
1-(3-propan-2-yloxypropyl)-3-[4-(trifluoromethyl)phenyl]thiourea
CID 17312695
N-(3-aminobutyl)-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119497448
ethyl 4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]butanoate
CID 134008850
N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 113271516
(4R)-4-(4-tert-butylphenyl)-4-hydroxy-N-(3-propan-2-yloxypropyl)butanamide
CID 95159349
N-(2-bromopropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114308761
N-[2-(2-bromoethoxy)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114309403
2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 55803102
N-(3-propan-2-yloxypropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39397239
N-[2-[[2-[4-(difluoromethoxy)phenyl]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 34508604
2-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60702149

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide (CID 47015106) is N-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide is CC(C)OCCCNC(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZWJWVGAYXIHUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-11(2)21-9-3-8-19-14(20)10-12-4-6-13(7-5-12)15(16,17)18/h4-7,11H,3,8-10H2,1-2H3,(H,19,20).
What are the key properties of N-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide?
N-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 303.32 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 47015106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).