N-(5-amino-2-methyl-2-propan-2-ylhexyl)-4,4-difluorocyclohexane-1-carboxamide

C17H32F2N2O — CID 91198203

IUPACN-(5-amino-2-methyl-2-propan-2-ylhexyl)-4,4-difluorocyclohexane-1-carboxamide
SMILESCC(N)CCC(C)(CNC(=O)C1CCC(F)(F)CC1)C(C)C
InChIInChI=1S/C17H32F2N2O/c1-12(2)16(4,8-5-13(3)20)11-21-15(22)14-6-9-17(18,19)10-7-14/h12-14H,5-11,20H2,1-4H3,(H,21,22)
InChIKeyMSZMBWUEMQTLIQ-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.72
Rot. Bonds7

About N-(5-amino-2-methyl-2-propan-2-ylhexyl)-4,4-difluorocyclohexane-1-carboxamide

N-(5-amino-2-methyl-2-propan-2-ylhexyl)-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 91198203) has the molecular formula C17H32F2N2O and a molecular weight of 318.45 g/mol. Its IUPAC name is N-(5-amino-2-methyl-2-propan-2-ylhexyl)-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-methyl-2-propan-2-ylhexyl)-4,4-difluorocyclohexane-1-carboxamide
PubChem CID91198203
Molecular FormulaC17H32F2N2O
Molecular Weight318.45 g/mol
Exact Mass318.25
IUPAC NameN-(5-amino-2-methyl-2-propan-2-ylhexyl)-4,4-difluorocyclohexane-1-carboxamide
SMILESCC(N)CCC(C)(CNC(=O)C1CCC(F)(F)CC1)C(C)C
InChIInChI=1S/C17H32F2N2O/c1-12(2)16(4,8-5-13(3)20)11-21-15(22)14-6-9-17(18,19)10-7-14/h12-14H,5-11,20H2,1-4H3,(H,21,22)
InChIKeyMSZMBWUEMQTLIQ-UHFFFAOYSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 53511040
3-[(3,3-Difluoro-2,2-dimethylpentyl)amino]cyclohexane-1-carboxamide
CID 132396558
2,2,3,3,4,4,4-heptafluoro-N-(3-{[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]methyl}-3,5,5-trimethylcyclohexyl)butanamide
CID 4258742
N-tert-butyl-4-(4,4-difluorocyclohexyl)piperidine-4-carboxamide
CID 23388588
N-[(4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-oxopentyl]-4-methylpentanamide
CID 54490474
3-(tert-butylamino)-3-cyclohexyl-2,2-difluoro-N-propan-2-ylpropanamide
CID 58331669
N-[[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]methyl]-4,4-difluorocyclohexane-1-carboxamide;hydrochloride
CID 67442410
N-[[(1S,3R)-3-amino-2,2,3-trimethylcyclopentyl]methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 67442411
4-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 68084954
1-ethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 71111905
N-[(3-amino-2,2,3-trimethylcyclopentyl)methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 77292727
4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide
CID 81932076

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methyl-2-propan-2-ylhexyl)-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-(5-amino-2-methyl-2-propan-2-ylhexyl)-4,4-difluorocyclohexane-1-carboxamide (CID 91198203) is N-(5-amino-2-methyl-2-propan-2-ylhexyl)-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-amino-2-methyl-2-propan-2-ylhexyl)-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-(5-amino-2-methyl-2-propan-2-ylhexyl)-4,4-difluorocyclohexane-1-carboxamide is CC(N)CCC(C)(CNC(=O)C1CCC(F)(F)CC1)C(C)C.
What is the InChIKey of N-(5-amino-2-methyl-2-propan-2-ylhexyl)-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is MSZMBWUEMQTLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F2N2O/c1-12(2)16(4,8-5-13(3)20)11-21-15(22)14-6-9-17(18,19)10-7-14/h12-14H,5-11,20H2,1-4H3,(H,21,22).
What are the key properties of N-(5-amino-2-methyl-2-propan-2-ylhexyl)-4,4-difluorocyclohexane-1-carboxamide?
N-(5-amino-2-methyl-2-propan-2-ylhexyl)-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methyl-2-propan-2-ylhexyl)-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 91198203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).