3-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]propanamide

C14H20F3N3O — CID 119290966

IUPAC3-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]propanamide
SMILESCCCCNc1ccc(C(F)(F)F)cc1NC(=O)CCN
InChIInChI=1S/C14H20F3N3O/c1-2-3-8-19-11-5-4-10(14(15,16)17)9-12(11)20-13(21)6-7-18/h4-5,9,19H,2-3,6-8,18H2,1H3,(H,20,21)
InChIKeyMOGOTESFEKXZQV-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.20
Rot. Bonds7

About 3-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]propanamide

3-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 119290966) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 3-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]propanamide
PubChem CID119290966
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name3-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]propanamide
SMILESCCCCNc1ccc(C(F)(F)F)cc1NC(=O)CCN
InChIInChI=1S/C14H20F3N3O/c1-2-3-8-19-11-5-4-10(14(15,16)17)9-12(11)20-13(21)6-7-18/h4-5,9,19H,2-3,6-8,18H2,1H3,(H,20,21)
InChIKeyMOGOTESFEKXZQV-UHFFFAOYSA-N
XLogP3.20
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]butanamide
CID 119290972
3-amino-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]propanamide;dihydrochloride
CID 119893579
2-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]acetamide
CID 119290968
3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119280151
2-(methylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119893557
2-(butylamino)-5-(trifluoromethyl)benzoic acid
CID 22143324
N-[2,4-bis(trifluoromethyl)phenyl]butanamide
CID 90927396
2-(2-methoxyethylamino)-N-[2-(propylamino)-5-(trifluoromethyl)phenyl]acetamide
CID 119893578
5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide
CID 81198138
N-[2-(3-aminopropanoylamino)-4-methylphenyl]pentanamide
CID 82034599
ethyl 4-[2-fluoro-4-(trifluoromethyl)anilino]butanoate
CID 107303292
4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide
CID 79192569

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]propanamide (CID 119290966) is 3-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]propanamide is CCCCNc1ccc(C(F)(F)F)cc1NC(=O)CCN.
What is the InChIKey of 3-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is MOGOTESFEKXZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-2-3-8-19-11-5-4-10(14(15,16)17)9-12(11)20-13(21)6-7-18/h4-5,9,19H,2-3,6-8,18H2,1H3,(H,20,21).
What are the key properties of 3-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]propanamide?
3-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 303.33 g/mol, XLogP of 3.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 119290966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).