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

C12H22N2O3 — CID 64868935

IUPAC2-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide
SMILESCC(=O)NC(C)C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C12H22N2O3/c1-9(14-10(2)15)11(16)13-8-12(17)6-4-3-5-7-12/h9,17H,3-8H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyGDAYZKPUKUTHHR-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.32
Rot. Bonds4

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

2-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide (PubChem CID 64868935) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name2-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide
PubChem CID64868935
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide
SMILESCC(=O)NC(C)C(=O)NCC1(O)CCCCC1
InChIInChI=1S/C12H22N2O3/c1-9(14-10(2)15)11(16)13-8-12(17)6-4-3-5-7-12/h9,17H,3-8H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyGDAYZKPUKUTHHR-UHFFFAOYSA-N
XLogP0.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide?
The IUPAC name of 2-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide (CID 64868935) is 2-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide.
What is the SMILES notation for 2-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide?
The canonical SMILES for 2-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide is CC(=O)NC(C)C(=O)NCC1(O)CCCCC1.
What is the InChIKey of 2-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide?
The InChIKey is GDAYZKPUKUTHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(14-10(2)15)11(16)13-8-12(17)6-4-3-5-7-12/h9,17H,3-8H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 2-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide?
2-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide has a molecular weight of 242.32 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide is sourced from PubChem (CID 64868935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).