2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide

C15H30N2O2 — CID 65120934

IUPAC2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC1CCCC(O)(CNCC(=O)NC(C)C(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-11(2)13(4)17-14(18)9-16-10-15(19)7-5-6-12(3)8-15/h11-13,16,19H,5-10H2,1-4H3,(H,17,18)
InChIKeyAPPJGGDBESFZDD-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.68
Rot. Bonds6

About 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide

2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide (PubChem CID 65120934) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
PubChem CID65120934
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
SMILESCC1CCCC(O)(CNCC(=O)NC(C)C(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-11(2)13(4)17-14(18)9-16-10-15(19)7-5-6-12(3)8-15/h11-13,16,19H,5-10H2,1-4H3,(H,17,18)
InChIKeyAPPJGGDBESFZDD-UHFFFAOYSA-N
XLogP1.68
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S,3R)-1-hydroxy-3-methylcyclohexyl]methylamino]-N-methylacetamide
CID 96936567
1-(azepan-1-yl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethanone
CID 65120584
N-(4-bromophenyl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]acetamide
CID 65120579
N-cyclopropyl-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-methylacetamide
CID 65120474
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65119480
N-(2-bromophenyl)-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]acetamide
CID 65120471
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4,4-trimethylpentanamide
CID 65123948
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782
5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pentanoic acid
CID 103254347
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 79039779
N-[[(1R,3S)-1-hydroxy-3-methylcyclohexyl]methyl]acetamide
CID 36689616
N-(3-methylbutan-2-yl)-2-[(1-propan-2-ylcyclopropyl)methylamino]acetamide
CID 114113618

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide (CID 65120934) is 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide is CC1CCCC(O)(CNCC(=O)NC(C)C(C)C)C1.
What is the InChIKey of 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is APPJGGDBESFZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-11(2)13(4)17-14(18)9-16-10-15(19)7-5-6-12(3)8-15/h11-13,16,19H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide?
2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 270.42 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3-methylcyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 65120934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).