3-(cyclohexylamino)-2-hydroxy-N-propan-2-ylbutanamide

C13H26N2O2 — CID 134349254

IUPAC3-(cyclohexylamino)-2-hydroxy-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(O)C(C)NC1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-9(2)14-13(17)12(16)10(3)15-11-7-5-4-6-8-11/h9-12,15-16H,4-8H2,1-3H3,(H,14,17)
InChIKeyVFZLBLAFYCYRRN-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.18
Rot. Bonds5

About 3-(cyclohexylamino)-2-hydroxy-N-propan-2-ylbutanamide

3-(cyclohexylamino)-2-hydroxy-N-propan-2-ylbutanamide (PubChem CID 134349254) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(cyclohexylamino)-2-hydroxy-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name3-(cyclohexylamino)-2-hydroxy-N-propan-2-ylbutanamide
PubChem CID134349254
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-(cyclohexylamino)-2-hydroxy-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(O)C(C)NC1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-9(2)14-13(17)12(16)10(3)15-11-7-5-4-6-8-11/h9-12,15-16H,4-8H2,1-3H3,(H,14,17)
InChIKeyVFZLBLAFYCYRRN-UHFFFAOYSA-N
XLogP1.18
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43083335
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CID 43083622
2-(cycloheptylamino)-N-cyclohexylpropanamide
CID 43236394
N-cyclopentyl-2-(cyclopropylamino)propanamide
CID 43083564
N-(3-methylbutan-2-yl)cycloheptanamine
CID 43181172
N,N'-di(cycloheptyl)-2,3-dihydroxybutanediamide
CID 141089668
N-[4-[1-[[(2S,3R)-3-(cyclopentylamino)-2-hydroxybutanoyl]amino]ethyl]phenyl]-4-fluorobenzamide
CID 146094037
N-cyclohexyl-2-silylpropanamide
CID 123581134
(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
CID 118008390
1-(cyclopentylamino)ethanol
CID 18784157
(2S,3R)-3-(cyclopentylamino)-N-(3,4-dihydro-2H-chromen-4-yl)-2-hydroxybutanamide
CID 146094021
N-propan-2-ylcycloheptanamine
CID 42562651

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylamino)-2-hydroxy-N-propan-2-ylbutanamide?
The IUPAC name of 3-(cyclohexylamino)-2-hydroxy-N-propan-2-ylbutanamide (CID 134349254) is 3-(cyclohexylamino)-2-hydroxy-N-propan-2-ylbutanamide.
What is the SMILES notation for 3-(cyclohexylamino)-2-hydroxy-N-propan-2-ylbutanamide?
The canonical SMILES for 3-(cyclohexylamino)-2-hydroxy-N-propan-2-ylbutanamide is CC(C)NC(=O)C(O)C(C)NC1CCCCC1.
What is the InChIKey of 3-(cyclohexylamino)-2-hydroxy-N-propan-2-ylbutanamide?
The InChIKey is VFZLBLAFYCYRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(2)14-13(17)12(16)10(3)15-11-7-5-4-6-8-11/h9-12,15-16H,4-8H2,1-3H3,(H,14,17).
What are the key properties of 3-(cyclohexylamino)-2-hydroxy-N-propan-2-ylbutanamide?
3-(cyclohexylamino)-2-hydroxy-N-propan-2-ylbutanamide has a molecular weight of 242.36 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylamino)-2-hydroxy-N-propan-2-ylbutanamide is sourced from PubChem (CID 134349254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).