N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)amino]-2-hydroxybutanamide

C14H24F2N2O2 — CID 139329211

IUPACN-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)amino]-2-hydroxybutanamide
SMILESCC(NC1CCC(F)(F)CC1)C(O)C(=O)NCC1CC1
InChIInChI=1S/C14H24F2N2O2/c1-9(12(19)13(20)17-8-10-2-3-10)18-11-4-6-14(15,16)7-5-11/h9-12,18-19H,2-8H2,1H3,(H,17,20)
InChIKeyGLBLKMJMXSTFJQ-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.43
Rot. Bonds6

About N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)amino]-2-hydroxybutanamide

N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)amino]-2-hydroxybutanamide (PubChem CID 139329211) has the molecular formula C14H24F2N2O2 and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)amino]-2-hydroxybutanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)amino]-2-hydroxybutanamide
PubChem CID139329211
Molecular FormulaC14H24F2N2O2
Molecular Weight290.35 g/mol
Exact Mass290.18
IUPAC NameN-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)amino]-2-hydroxybutanamide
SMILESCC(NC1CCC(F)(F)CC1)C(O)C(=O)NCC1CC1
InChIInChI=1S/C14H24F2N2O2/c1-9(12(19)13(20)17-8-10-2-3-10)18-11-4-6-14(15,16)7-5-11/h9-12,18-19H,2-8H2,1H3,(H,17,20)
InChIKeyGLBLKMJMXSTFJQ-UHFFFAOYSA-N
XLogP1.43
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-hydroxypropanamide
CID 131088894
N-[4-(cyclopropylmethylamino)-3-hydroxy-4-oxobutan-2-yl]benzamide
CID 134349733
2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233
N-(cyclopentylmethyl)-2-methylpropanamide;ethane
CID 176960669
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
methyl 4-[[[4-(benzylamino)-2,3-dihydroxy-4-oxobutanoyl]amino]methyl]cyclohexane-1-carboxylate
CID 68786677
3-[(2-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-hydroxybutanamide
CID 134349706
N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide
CID 106123043
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide
CID 106121936
N-[(4-chlorocyclohexyl)methyl]-2-methylbutanamide
CID 106133616
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 61149083
N-(4,4-difluorocyclohexyl)butanamide
CID 131166223

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)amino]-2-hydroxybutanamide?
The IUPAC name of N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)amino]-2-hydroxybutanamide (CID 139329211) is N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)amino]-2-hydroxybutanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)amino]-2-hydroxybutanamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)amino]-2-hydroxybutanamide is CC(NC1CCC(F)(F)CC1)C(O)C(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)amino]-2-hydroxybutanamide?
The InChIKey is GLBLKMJMXSTFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O2/c1-9(12(19)13(20)17-8-10-2-3-10)18-11-4-6-14(15,16)7-5-11/h9-12,18-19H,2-8H2,1H3,(H,17,20).
What are the key properties of N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)amino]-2-hydroxybutanamide?
N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)amino]-2-hydroxybutanamide has a molecular weight of 290.35 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-[(4,4-difluorocyclohexyl)amino]-2-hydroxybutanamide is sourced from PubChem (CID 139329211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).