N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide

C12H23NO4 — CID 64867846

IUPACN-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C12H23NO4/c1-16-7-8-17-9-11(14)13-10-12(15)5-3-2-4-6-12/h15H,2-10H2,1H3,(H,13,14)
InChIKeyBPZMILPDUOJGNH-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.46
Rot. Bonds7

About N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide

N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide (PubChem CID 64867846) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide
PubChem CID64867846
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C12H23NO4/c1-16-7-8-17-9-11(14)13-10-12(15)5-3-2-4-6-12/h15H,2-10H2,1H3,(H,13,14)
InChIKeyBPZMILPDUOJGNH-UHFFFAOYSA-N
XLogP0.46
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide (CID 64867846) is N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide?
The InChIKey is BPZMILPDUOJGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-16-7-8-17-9-11(14)13-10-12(15)5-3-2-4-6-12/h15H,2-10H2,1H3,(H,13,14).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide?
N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide has a molecular weight of 245.32 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 64867846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).