2-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide

C12H21F3N2O — CID 60718312

IUPAC2-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESCC(C)NCC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O/c1-8(2)16-7-11(18)17-10-5-3-9(4-6-10)12(13,14)15/h8-10,16H,3-7H2,1-2H3,(H,17,18)
InChIKeyPPHWABSRXOSCCI-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.22
Rot. Bonds4

About 2-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide

2-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 60718312) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID60718312
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name2-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESCC(C)NCC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O/c1-8(2)16-7-11(18)17-10-5-3-9(4-6-10)12(13,14)15/h8-10,16H,3-7H2,1-2H3,(H,17,18)
InChIKeyPPHWABSRXOSCCI-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-2-(propan-2-ylamino)acetamide
CID 62319444
2-bromo-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 63679501
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-cyclopropylpropanamide
CID 113248238
3-chloro-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 43701255
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574953
N-cycloheptyl-2-(1-hydroxypropan-2-ylamino)acetamide
CID 62573821
3-piperidin-3-yl-N-[4-(trifluoromethyl)cyclohexyl]butanamide;hydrochloride
CID 119701805
5-hydroxy-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 79199848
2-bromo-N-[4-(trifluoromethyl)cyclohexyl]butanamide
CID 62856040
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 61180289
4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 120524479
2-(1-hydroxycyclohexyl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 111331748

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide (CID 60718312) is 2-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide is CC(C)NCC(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is PPHWABSRXOSCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-8(2)16-7-11(18)17-10-5-3-9(4-6-10)12(13,14)15/h8-10,16H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 2-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
2-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 266.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 60718312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).