2-amino-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-(4-formylcyclohexyl)acetamide

C19H26F2N2O2 — CID 166932266

IUPAC2-amino-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-(4-formylcyclohexyl)acetamide
SMILESCC(C)(CNC(=O)C(N)C1CCC(C=O)CC1)c1ccc(F)cc1F
InChIInChI=1S/C19H26F2N2O2/c1-19(2,15-8-7-14(20)9-16(15)21)11-23-18(25)17(22)13-5-3-12(10-24)4-6-13/h7-10,12-13,17H,3-6,11,22H2,1-2H3,(H,23,25)
InChIKeyPKOXRQMYCMLKHC-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.69
Rot. Bonds6

About 2-amino-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-(4-formylcyclohexyl)acetamide

2-amino-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-(4-formylcyclohexyl)acetamide (PubChem CID 166932266) has the molecular formula C19H26F2N2O2 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-amino-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-(4-formylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-(4-formylcyclohexyl)acetamide
PubChem CID166932266
Molecular FormulaC19H26F2N2O2
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Name2-amino-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-(4-formylcyclohexyl)acetamide
SMILESCC(C)(CNC(=O)C(N)C1CCC(C=O)CC1)c1ccc(F)cc1F
InChIInChI=1S/C19H26F2N2O2/c1-19(2,15-8-7-14(20)9-16(15)21)11-23-18(25)17(22)13-5-3-12(10-24)4-6-13/h7-10,12-13,17H,3-6,11,22H2,1-2H3,(H,23,25)
InChIKeyPKOXRQMYCMLKHC-UHFFFAOYSA-N
XLogP2.69
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-2-(4-formylcyclohexyl)acetamide
CID 166932189
2-amino-N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-(1-formylpiperidin-4-yl)acetamide
CID 166932099
4-[1-amino-2-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 86762957
1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136355
4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 90290813
N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine
CID 115226390
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414
(E)-4-[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]but-2-enoic acid
CID 115237407
2-amino-N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]pentanamide
CID 119325016
1-[[[2-(2,4-difluorophenyl)-2-methylpropyl]amino]methyl]cyclopropan-1-amine
CID 115257137
2-amino-N-[2-(3,4-difluorophenyl)-2-ethylbutyl]-2-(1-formylpiperidin-4-yl)acetamide
CID 166932387
N-[2-(2,4-difluorophenyl)-2-methylpropyl]piperidin-4-amine
CID 115118563

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-(4-formylcyclohexyl)acetamide?
The IUPAC name of 2-amino-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-(4-formylcyclohexyl)acetamide (CID 166932266) is 2-amino-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-(4-formylcyclohexyl)acetamide.
What is the SMILES notation for 2-amino-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-(4-formylcyclohexyl)acetamide?
The canonical SMILES for 2-amino-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-(4-formylcyclohexyl)acetamide is CC(C)(CNC(=O)C(N)C1CCC(C=O)CC1)c1ccc(F)cc1F.
What is the InChIKey of 2-amino-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-(4-formylcyclohexyl)acetamide?
The InChIKey is PKOXRQMYCMLKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N2O2/c1-19(2,15-8-7-14(20)9-16(15)21)11-23-18(25)17(22)13-5-3-12(10-24)4-6-13/h7-10,12-13,17H,3-6,11,22H2,1-2H3,(H,23,25).
What are the key properties of 2-amino-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-(4-formylcyclohexyl)acetamide?
2-amino-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-(4-formylcyclohexyl)acetamide has a molecular weight of 352.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-(4-formylcyclohexyl)acetamide is sourced from PubChem (CID 166932266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).