N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide

C13H26N2O3 — CID 79290845

IUPACN-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NCC1(O)CCC(C)CC1
InChIInChI=1S/C13H26N2O3/c1-11-3-5-13(17,6-4-11)10-15-12(16)9-14-7-8-18-2/h11,14,17H,3-10H2,1-2H3,(H,15,16)
InChIKeyIWCPQJQXHAPRHQ-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.28
Rot. Bonds7

About N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 79290845) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide
PubChem CID79290845
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NCC1(O)CCC(C)CC1
InChIInChI=1S/C13H26N2O3/c1-11-3-5-13(17,6-4-11)10-15-12(16)9-14-7-8-18-2/h11,14,17H,3-10H2,1-2H3,(H,15,16)
InChIKeyIWCPQJQXHAPRHQ-UHFFFAOYSA-N
XLogP0.28
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N1-((1-hydroxycyclopentyl)methyl)-N2-(2-methoxyethyl)oxalamide
CID 49670567
N1-(2-cyclohexyl-2-hydroxyethyl)-N2-ethyloxalamide
CID 56764336
N-[(1-hydroxycyclohexyl)methyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 71989600
2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 65116484
2-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 65121180
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260495
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260667
2-[(1-hydroxy-4-methylcyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 116153446
2-[(1-hydroxycyclohexyl)methylamino]-N,N-dimethylacetamide
CID 19417695
2-[(1-hydroxycyclohexyl)methylamino]-N-propylpropanamide
CID 54953981
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(2-methylpropyl)acetamide
CID 55086796
2-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-N-(1-methoxypropan-2-yl)acetamide
CID 55087172

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide (CID 79290845) is N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)NCC1(O)CCC(C)CC1.
What is the InChIKey of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is IWCPQJQXHAPRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-11-3-5-13(17,6-4-11)10-15-12(16)9-14-7-8-18-2/h11,14,17H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide?
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide has a molecular weight of 258.36 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 79290845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).