N-[(1R,2R)-2-hydroxycyclohexyl]-2-(methylamino)-N-propylacetamide

C12H24N2O2 — CID 56873062

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-2-(methylamino)-N-propylacetamide
SMILESCCCN(C(=O)CNC)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H24N2O2/c1-3-8-14(12(16)9-13-2)10-6-4-5-7-11(10)15/h10-11,13,15H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyWWYOUJIGIGEEPS-GHMZBOCLSA-N
MW228.34 g/mol
LogP0.75
Rot. Bonds5

About N-[(1R,2R)-2-hydroxycyclohexyl]-2-(methylamino)-N-propylacetamide

N-[(1R,2R)-2-hydroxycyclohexyl]-2-(methylamino)-N-propylacetamide (PubChem CID 56873062) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-2-(methylamino)-N-propylacetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-2-(methylamino)-N-propylacetamide
PubChem CID56873062
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-2-(methylamino)-N-propylacetamide
SMILESCCCN(C(=O)CNC)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H24N2O2/c1-3-8-14(12(16)9-13-2)10-6-4-5-7-11(10)15/h10-11,13,15H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyWWYOUJIGIGEEPS-GHMZBOCLSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2-(methylamino)-N-propylacetamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2-(methylamino)-N-propylacetamide (CID 56873062) is N-[(1R,2R)-2-hydroxycyclohexyl]-2-(methylamino)-N-propylacetamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-2-(methylamino)-N-propylacetamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-2-(methylamino)-N-propylacetamide is CCCN(C(=O)CNC)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-2-(methylamino)-N-propylacetamide?
The InChIKey is WWYOUJIGIGEEPS-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-8-14(12(16)9-13-2)10-6-4-5-7-11(10)15/h10-11,13,15H,3-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-2-(methylamino)-N-propylacetamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(methylamino)-N-propylacetamide has a molecular weight of 228.34 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-2-(methylamino)-N-propylacetamide is sourced from PubChem (CID 56873062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).