N-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide

C14H19F3N2O — CID 60761684

IUPACN-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
SMILESCC(C)NC(=O)CCNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-10(2)19-13(20)6-7-18-9-11-4-3-5-12(8-11)14(15,16)17/h3-5,8,10,18H,6-7,9H2,1-2H3,(H,19,20)
InChIKeyXKAYMMNQXLSSCJ-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.71
Rot. Bonds6

About N-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide

N-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide (PubChem CID 60761684) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
PubChem CID60761684
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
SMILESCC(C)NC(=O)CCNCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-10(2)19-13(20)6-7-18-9-11-4-3-5-12(8-11)14(15,16)17/h3-5,8,10,18H,6-7,9H2,1-2H3,(H,19,20)
InChIKeyXKAYMMNQXLSSCJ-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 28830273
3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
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N-(2-methoxyethyl)-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 115592418
N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 28684436
1-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methyl]thiourea
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CID 115711616
3-[(2,6-difluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 112684717
methyl 2-[[3-(trifluoromethyl)phenyl]methylamino]propanoate
CID 60691144
3-[2-methyl-5-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 66481346
N-(1-hydroxypropan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 43418851
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 43177982

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide?
The IUPAC name of N-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide (CID 60761684) is N-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide.
What is the SMILES notation for N-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide?
The canonical SMILES for N-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide is CC(C)NC(=O)CCNCc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide?
The InChIKey is XKAYMMNQXLSSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-10(2)19-13(20)6-7-18-9-11-4-3-5-12(8-11)14(15,16)17/h3-5,8,10,18H,6-7,9H2,1-2H3,(H,19,20).
What are the key properties of N-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide?
N-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide has a molecular weight of 288.31 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide is sourced from PubChem (CID 60761684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).