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

C12H22N2O3 — CID 64868942

IUPAC3-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide
SMILESCC(=O)NCCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C12H22N2O3/c1-10(15)13-8-5-11(16)14-9-12(17)6-3-2-4-7-12/h17H,2-9H2,1H3,(H,13,15)(H,14,16)
InChIKeyWKJFAYHGBJMMCN-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.32
Rot. Bonds5

About 3-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide

3-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide (PubChem CID 64868942) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide
PubChem CID64868942
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide
SMILESCC(=O)NCCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C12H22N2O3/c1-10(15)13-8-5-11(16)14-9-12(17)6-3-2-4-7-12/h17H,2-9H2,1H3,(H,13,15)(H,14,16)
InChIKeyWKJFAYHGBJMMCN-UHFFFAOYSA-N
XLogP0.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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 3-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide?
The IUPAC name of 3-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide (CID 64868942) is 3-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide.
What is the SMILES notation for 3-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide?
The canonical SMILES for 3-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide is CC(=O)NCCC(=O)NCC1(O)CCCCC1.
What is the InChIKey of 3-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide?
The InChIKey is WKJFAYHGBJMMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-10(15)13-8-5-11(16)14-9-12(17)6-3-2-4-7-12/h17H,2-9H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 3-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide?
3-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide has a molecular weight of 242.32 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(1-hydroxycyclohexyl)methyl]propanamide is sourced from PubChem (CID 64868942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).