(2E)-2-(1-aminooxyethylidene)-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pentanamide

C17H23F3N2O2 — CID 135213457

IUPAC(2E)-2-(1-aminooxyethylidene)-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pentanamide
SMILESCCC/C(C(=O)N(c1ccc(C(F)(F)F)cc1)C(C)C)=C(/C)ON
InChIInChI=1S/C17H23F3N2O2/c1-5-6-15(12(4)24-21)16(23)22(11(2)3)14-9-7-13(8-10-14)17(18,19)20/h7-11H,5-6,21H2,1-4H3/b15-12+
InChIKeyNTIJONMNNUJKDW-NTCAYCPXSA-N
MW344.38 g/mol
LogP4.41
Rot. Bonds6

About (2E)-2-(1-aminooxyethylidene)-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pentanamide

(2E)-2-(1-aminooxyethylidene)-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pentanamide (PubChem CID 135213457) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is (2E)-2-(1-aminooxyethylidene)-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pentanamide.

Molecular Properties

Compound Name(2E)-2-(1-aminooxyethylidene)-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pentanamide
PubChem CID135213457
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name(2E)-2-(1-aminooxyethylidene)-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pentanamide
SMILESCCC/C(C(=O)N(c1ccc(C(F)(F)F)cc1)C(C)C)=C(/C)ON
InChIInChI=1S/C17H23F3N2O2/c1-5-6-15(12(4)24-21)16(23)22(11(2)3)14-9-7-13(8-10-14)17(18,19)20/h7-11H,5-6,21H2,1-4H3/b15-12+
InChIKeyNTIJONMNNUJKDW-NTCAYCPXSA-N
XLogP4.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-di(propan-2-yl)-4-(trifluoromethyl)aniline
CID 146165674
N-methyl-N-[(E)-2-methylhexan-3-ylideneamino]-4-(trifluoromethyl)aniline
CID 142923043
N-[(3R)-hex-1-en-3-yl]-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 10758591
ethyl 2-[4-(trifluoromethyl)phenyl]sulfonylpropanoate
CID 58198449
3-[N-acetyl-4-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 113130512
2-[4-(trifluoromethyl)anilino]butanamide
CID 55130262
ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate
CID 3372676
ethyl 2-methyl-3-oxo-3-[4-(trifluoromethyl)phenyl]propanoate
CID 129319443
N'-ethyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 169111183
2-[4-(trifluoromethyl)phenyl]pentanoic acid
CID 68887185
2-methyl-3-[N-propyl-4-(trifluoromethyl)anilino]propanoic acid
CID 82317921
ethyl (2R)-3-oxo-2-[4-(trifluoromethyl)phenoxy]butanoate
CID 98081765

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1-aminooxyethylidene)-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pentanamide?
The IUPAC name of (2E)-2-(1-aminooxyethylidene)-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pentanamide (CID 135213457) is (2E)-2-(1-aminooxyethylidene)-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pentanamide.
What is the SMILES notation for (2E)-2-(1-aminooxyethylidene)-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pentanamide?
The canonical SMILES for (2E)-2-(1-aminooxyethylidene)-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pentanamide is CCC/C(C(=O)N(c1ccc(C(F)(F)F)cc1)C(C)C)=C(/C)ON.
What is the InChIKey of (2E)-2-(1-aminooxyethylidene)-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pentanamide?
The InChIKey is NTIJONMNNUJKDW-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-5-6-15(12(4)24-21)16(23)22(11(2)3)14-9-7-13(8-10-14)17(18,19)20/h7-11H,5-6,21H2,1-4H3/b15-12+.
What are the key properties of (2E)-2-(1-aminooxyethylidene)-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pentanamide?
(2E)-2-(1-aminooxyethylidene)-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pentanamide has a molecular weight of 344.38 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1-aminooxyethylidene)-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]pentanamide is sourced from PubChem (CID 135213457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).