2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]acetamide

C12H21NO2 — CID 106121247

IUPAC2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(CC1CC1)NCC1CCC(O)CC1
InChIInChI=1S/C12H21NO2/c14-11-5-3-10(4-6-11)8-13-12(15)7-9-1-2-9/h9-11,14H,1-8H2,(H,13,15)
InChIKeyQWYIBCYCUHHJPX-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.45
Rot. Bonds4

About 2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]acetamide

2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]acetamide (PubChem CID 106121247) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]acetamide
PubChem CID106121247
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(CC1CC1)NCC1CCC(O)CC1
InChIInChI=1S/C12H21NO2/c14-11-5-3-10(4-6-11)8-13-12(15)7-9-1-2-9/h9-11,14H,1-8H2,(H,13,15)
InChIKeyQWYIBCYCUHHJPX-UHFFFAOYSA-N
XLogP1.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]acetamide (CID 106121247) is 2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]acetamide is O=C(CC1CC1)NCC1CCC(O)CC1.
What is the InChIKey of 2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is QWYIBCYCUHHJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-11-5-3-10(4-6-11)8-13-12(15)7-9-1-2-9/h9-11,14H,1-8H2,(H,13,15).
What are the key properties of 2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]acetamide?
2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 211.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(4-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 106121247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).