N-[(1-hydroxycyclohexyl)methyl]-2-(methylamino)propanamide

C11H22N2O2 — CID 65106764

IUPACN-[(1-hydroxycyclohexyl)methyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C11H22N2O2/c1-9(12-2)10(14)13-8-11(15)6-4-3-5-7-11/h9,12,15H,3-8H2,1-2H3,(H,13,14)
InChIKeyXJAFXSALRVKBGR-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.41
Rot. Bonds4

About N-[(1-hydroxycyclohexyl)methyl]-2-(methylamino)propanamide

N-[(1-hydroxycyclohexyl)methyl]-2-(methylamino)propanamide (PubChem CID 65106764) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2-(methylamino)propanamide
PubChem CID65106764
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C11H22N2O2/c1-9(12-2)10(14)13-8-11(15)6-4-3-5-7-11/h9,12,15H,3-8H2,1-2H3,(H,13,14)
InChIKeyXJAFXSALRVKBGR-UHFFFAOYSA-N
XLogP0.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-(methylamino)propanamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-(methylamino)propanamide (CID 65106764) is N-[(1-hydroxycyclohexyl)methyl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2-(methylamino)propanamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2-(methylamino)propanamide is CNC(C)C(=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2-(methylamino)propanamide?
The InChIKey is XJAFXSALRVKBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(12-2)10(14)13-8-11(15)6-4-3-5-7-11/h9,12,15H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2-(methylamino)propanamide?
N-[(1-hydroxycyclohexyl)methyl]-2-(methylamino)propanamide has a molecular weight of 214.31 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-2-(methylamino)propanamide is sourced from PubChem (CID 65106764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).