2,2-dimethyl-3-(methylamino)-N-[(3,4,5-trifluorophenyl)methyl]butanamide

C14H19F3N2O — CID 174865579

IUPAC2,2-dimethyl-3-(methylamino)-N-[(3,4,5-trifluorophenyl)methyl]butanamide
SMILESCNC(C)C(C)(C)C(=O)NCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H19F3N2O/c1-8(18-4)14(2,3)13(20)19-7-9-5-10(15)12(17)11(16)6-9/h5-6,8,18H,7H2,1-4H3,(H,19,20)
InChIKeyHNMBTSXBPWUGIN-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.35
Rot. Bonds5

About 2,2-dimethyl-3-(methylamino)-N-[(3,4,5-trifluorophenyl)methyl]butanamide

2,2-dimethyl-3-(methylamino)-N-[(3,4,5-trifluorophenyl)methyl]butanamide (PubChem CID 174865579) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-(methylamino)-N-[(3,4,5-trifluorophenyl)methyl]butanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(methylamino)-N-[(3,4,5-trifluorophenyl)methyl]butanamide
PubChem CID174865579
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2,2-dimethyl-3-(methylamino)-N-[(3,4,5-trifluorophenyl)methyl]butanamide
SMILESCNC(C)C(C)(C)C(=O)NCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H19F3N2O/c1-8(18-4)14(2,3)13(20)19-7-9-5-10(15)12(17)11(16)6-9/h5-6,8,18H,7H2,1-4H3,(H,19,20)
InChIKeyHNMBTSXBPWUGIN-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(3,4,5-trifluorophenyl)methyl]oxamide
CID 126500408
2,2,3-trimethyl-N-[(2,4,6-trifluorophenyl)methyl]butanamide
CID 174866073
(2S)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 94999647
N-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 63050518
(2S)-3-methyl-2-[(3,4,5-trifluorophenyl)methylamino]butanoic acid
CID 120510673
methyl 2-[(3,4,5-trifluorophenyl)methylamino]propanoate
CID 63051404
2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051342
2-methyl-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol
CID 63050676
(2S)-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol
CID 94999639
4-methyl-2-[(3,4,5-trifluorophenyl)methylamino]pentanoic acid
CID 55146013
N,N-diethyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 63051555
ethyl 2-[(3,4,5-trifluorophenyl)methylamino]acetate
CID 63050540

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(methylamino)-N-[(3,4,5-trifluorophenyl)methyl]butanamide?
The IUPAC name of 2,2-dimethyl-3-(methylamino)-N-[(3,4,5-trifluorophenyl)methyl]butanamide (CID 174865579) is 2,2-dimethyl-3-(methylamino)-N-[(3,4,5-trifluorophenyl)methyl]butanamide.
What is the SMILES notation for 2,2-dimethyl-3-(methylamino)-N-[(3,4,5-trifluorophenyl)methyl]butanamide?
The canonical SMILES for 2,2-dimethyl-3-(methylamino)-N-[(3,4,5-trifluorophenyl)methyl]butanamide is CNC(C)C(C)(C)C(=O)NCc1cc(F)c(F)c(F)c1.
What is the InChIKey of 2,2-dimethyl-3-(methylamino)-N-[(3,4,5-trifluorophenyl)methyl]butanamide?
The InChIKey is HNMBTSXBPWUGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-8(18-4)14(2,3)13(20)19-7-9-5-10(15)12(17)11(16)6-9/h5-6,8,18H,7H2,1-4H3,(H,19,20).
What are the key properties of 2,2-dimethyl-3-(methylamino)-N-[(3,4,5-trifluorophenyl)methyl]butanamide?
2,2-dimethyl-3-(methylamino)-N-[(3,4,5-trifluorophenyl)methyl]butanamide has a molecular weight of 288.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(methylamino)-N-[(3,4,5-trifluorophenyl)methyl]butanamide is sourced from PubChem (CID 174865579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).