4-(propan-2-ylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide

C15H21F3N2O — CID 62879951

IUPAC4-(propan-2-ylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCC(C)NCCCC(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2O/c1-11(2)19-9-5-8-14(21)20-10-12-6-3-4-7-13(12)15(16,17)18/h3-4,6-7,11,19H,5,8-10H2,1-2H3,(H,20,21)
InChIKeyKTHGREGNKUOASU-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.10
Rot. Bonds7

About 4-(propan-2-ylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide

4-(propan-2-ylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 62879951) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(propan-2-ylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID62879951
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name4-(propan-2-ylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCC(C)NCCCC(=O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C15H21F3N2O/c1-11(2)19-9-5-8-14(21)20-10-12-6-3-4-7-13(12)15(16,17)18/h3-4,6-7,11,19H,5,8-10H2,1-2H3,(H,20,21)
InChIKeyKTHGREGNKUOASU-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(propan-2-ylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide 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-[(2-fluorophenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60851811
6-(methylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide
CID 167116783
N-(naphthalen-1-ylmethyl)-4-(propan-2-ylamino)butanamide
CID 62369293
4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 126520228
5-amino-4-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 82010760
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734
3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480450
2-propan-2-yloxy-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 112686778
6-(methylideneamino)-N-[[2-(trifluoromethyl)phenyl]methyl]hexanamide
CID 164530484
2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781
2-sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 107028778
4-(4-fluoro-N-methylanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 90874062

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-(propan-2-ylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide (CID 62879951) is 4-(propan-2-ylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-(propan-2-ylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-(propan-2-ylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide is CC(C)NCCCC(=O)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 4-(propan-2-ylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is KTHGREGNKUOASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-11(2)19-9-5-8-14(21)20-10-12-6-3-4-7-13(12)15(16,17)18/h3-4,6-7,11,19H,5,8-10H2,1-2H3,(H,20,21).
What are the key properties of 4-(propan-2-ylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide?
4-(propan-2-ylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 302.34 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 62879951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).