2-amino-3,3,3-trifluoro-N-[(1-hydroxycycloheptyl)methyl]-2-methylpropanamide

C12H21F3N2O2 — CID 79811142

IUPAC2-amino-3,3,3-trifluoro-N-[(1-hydroxycycloheptyl)methyl]-2-methylpropanamide
SMILESCC(N)(C(=O)NCC1(O)CCCCCC1)C(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-10(16,12(13,14)15)9(18)17-8-11(19)6-4-2-3-5-7-11/h19H,2-8,16H2,1H3,(H,17,18)
InChIKeyFQUPICHDNHSJLQ-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.47
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-N-[(1-hydroxycycloheptyl)methyl]-2-methylpropanamide

2-amino-3,3,3-trifluoro-N-[(1-hydroxycycloheptyl)methyl]-2-methylpropanamide (PubChem CID 79811142) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-[(1-hydroxycycloheptyl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-[(1-hydroxycycloheptyl)methyl]-2-methylpropanamide
PubChem CID79811142
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-amino-3,3,3-trifluoro-N-[(1-hydroxycycloheptyl)methyl]-2-methylpropanamide
SMILESCC(N)(C(=O)NCC1(O)CCCCCC1)C(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-10(16,12(13,14)15)9(18)17-8-11(19)6-4-2-3-5-7-11/h19H,2-8,16H2,1H3,(H,17,18)
InChIKeyFQUPICHDNHSJLQ-UHFFFAOYSA-N
XLogP1.47
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methylpropanamide
CID 113293905
2-amino-2-cyclopropyl-N-[(1-hydroxycycloheptyl)methyl]propanamide
CID 65122341
2-bromo-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 114328802
N-[(1-hydroxycycloheptyl)methyl]-2,2-dimethylbutanamide
CID 56793427
1-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445840
2-amino-N-[(1-hydroxycycloheptyl)methyl]-2-phenylpropanamide
CID 65122706
2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide
CID 77056764
N-[(1-hydroxycycloheptyl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide
CID 111538987
2-(2-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 111446209
2-amino-N-[(1-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
CID 77210747
3-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65106819
2-amino-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 65122282

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-[(1-hydroxycycloheptyl)methyl]-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-[(1-hydroxycycloheptyl)methyl]-2-methylpropanamide (CID 79811142) is 2-amino-3,3,3-trifluoro-N-[(1-hydroxycycloheptyl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-[(1-hydroxycycloheptyl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-[(1-hydroxycycloheptyl)methyl]-2-methylpropanamide is CC(N)(C(=O)NCC1(O)CCCCCC1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-[(1-hydroxycycloheptyl)methyl]-2-methylpropanamide?
The InChIKey is FQUPICHDNHSJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-10(16,12(13,14)15)9(18)17-8-11(19)6-4-2-3-5-7-11/h19H,2-8,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-3,3,3-trifluoro-N-[(1-hydroxycycloheptyl)methyl]-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-[(1-hydroxycycloheptyl)methyl]-2-methylpropanamide has a molecular weight of 282.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N-[(1-hydroxycycloheptyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 79811142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).