N-[(1-benzyl-3-butyl-2,6-dihydropyridin-3-yl)methyl]-2,2,2-trifluoroacetamide

C19H25F3N2O — CID 11314216

IUPACN-[(1-benzyl-3-butyl-2,6-dihydropyridin-3-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCCCCC1(CNC(=O)C(F)(F)F)C=CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H25F3N2O/c1-2-3-10-18(14-23-17(25)19(20,21)22)11-7-12-24(15-18)13-16-8-5-4-6-9-16/h4-9,11H,2-3,10,12-15H2,1H3,(H,23,25)
InChIKeySVXHRIXAAHYVCB-UHFFFAOYSA-N
MW354.42 g/mol
LogP3.91
Rot. Bonds7

About N-[(1-benzyl-3-butyl-2,6-dihydropyridin-3-yl)methyl]-2,2,2-trifluoroacetamide

N-[(1-benzyl-3-butyl-2,6-dihydropyridin-3-yl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 11314216) has the molecular formula C19H25F3N2O and a molecular weight of 354.42 g/mol. Its IUPAC name is N-[(1-benzyl-3-butyl-2,6-dihydropyridin-3-yl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1-benzyl-3-butyl-2,6-dihydropyridin-3-yl)methyl]-2,2,2-trifluoroacetamide
PubChem CID11314216
Molecular FormulaC19H25F3N2O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC NameN-[(1-benzyl-3-butyl-2,6-dihydropyridin-3-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCCCCC1(CNC(=O)C(F)(F)F)C=CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H25F3N2O/c1-2-3-10-18(14-23-17(25)19(20,21)22)11-7-12-24(15-18)13-16-8-5-4-6-9-16/h4-9,11H,2-3,10,12-15H2,1H3,(H,23,25)
InChIKeySVXHRIXAAHYVCB-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-benzyl-3-methylpyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 130485423
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 124514796
1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid;hydrochloride
CID 71758384
N-[(3-acetamido-1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 126807065
1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxamide
CID 154385489
(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
CID 71268606
(3R,4R)-1-benzyl-3-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 124633983
1-benzyl-3-methylpyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 159201320
N-[3-[(10-benzylacridin-9-ylidene)-butylsulfanylmethyl]sulfanylpropyl]-2,2,2-trifluoroacetamide
CID 59215570
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
ethyl 1-benzyl-3-(fluoromethyl)pyrrolidine-3-carboxylate
CID 54443836
N-(1-benzyl-4,4-difluoropyrrolidin-3-yl)-2,2-dimethylpropanamide
CID 67294048

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-butyl-2,6-dihydropyridin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1-benzyl-3-butyl-2,6-dihydropyridin-3-yl)methyl]-2,2,2-trifluoroacetamide (CID 11314216) is N-[(1-benzyl-3-butyl-2,6-dihydropyridin-3-yl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1-benzyl-3-butyl-2,6-dihydropyridin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1-benzyl-3-butyl-2,6-dihydropyridin-3-yl)methyl]-2,2,2-trifluoroacetamide is CCCCC1(CNC(=O)C(F)(F)F)C=CCN(Cc2ccccc2)C1.
What is the InChIKey of N-[(1-benzyl-3-butyl-2,6-dihydropyridin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is SVXHRIXAAHYVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O/c1-2-3-10-18(14-23-17(25)19(20,21)22)11-7-12-24(15-18)13-16-8-5-4-6-9-16/h4-9,11H,2-3,10,12-15H2,1H3,(H,23,25).
What are the key properties of N-[(1-benzyl-3-butyl-2,6-dihydropyridin-3-yl)methyl]-2,2,2-trifluoroacetamide?
N-[(1-benzyl-3-butyl-2,6-dihydropyridin-3-yl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 354.42 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3-butyl-2,6-dihydropyridin-3-yl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 11314216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).