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

C13H26N2O3 — CID 119801909

IUPACN-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NCC1(C)CCCCC1O
InChIInChI=1S/C13H26N2O3/c1-13(6-4-3-5-11(13)16)10-15-12(17)9-14-7-8-18-2/h11,14,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyULASQKBEZVBTIF-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.28
Rot. Bonds7

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

N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide (PubChem CID 119801909) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide
PubChem CID119801909
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)NCC1(C)CCCCC1O
InChIInChI=1S/C13H26N2O3/c1-13(6-4-3-5-11(13)16)10-15-12(17)9-14-7-8-18-2/h11,14,16H,3-10H2,1-2H3,(H,15,17)
InChIKeyULASQKBEZVBTIF-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

2-(2-methoxyethylamino)-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]acetamide
CID 119812143
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 78914071
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 79290845
2-(2-methoxyethylamino)-N-(1-methylcyclopentyl)acetamide
CID 79282104
3-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]butanamide;hydrochloride
CID 119801902
2-cyclohexyl-N-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]acetamide;hydrochloride
CID 119766819
1-[2-(cyclopropylmethoxy)ethyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea
CID 111722411
2-(2-methoxyethylamino)-N-(1-methylcyclohexyl)acetamide;hydrochloride
CID 119736484
1-(2-cyclopropylethyl)-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea
CID 111722478
2-(2-methoxyethylamino)-N-[(1-phenylcyclopentyl)methyl]acetamide;hydrochloride
CID 119698187
2-(2-methoxyethylamino)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 119699125
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(2-methoxyethyl)acetamide
CID 113293821

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide (CID 119801909) is N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)NCC1(C)CCCCC1O.
What is the InChIKey of N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide?
The InChIKey is ULASQKBEZVBTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-13(6-4-3-5-11(13)16)10-15-12(17)9-14-7-8-18-2/h11,14,16H,3-10H2,1-2H3,(H,15,17).
What are the key properties of N-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide?
N-[(2-hydroxy-1-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-[(2-hydroxy-1-methylcyclohexyl)methyl]-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 119801909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).