N-(2-hydroxycyclohexyl)-N,2-dimethyl-3-(methylamino)propanamide

C12H24N2O2 — CID 102632043

IUPACN-(2-hydroxycyclohexyl)-N,2-dimethyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)N(C)C1CCCCC1O
InChIInChI=1S/C12H24N2O2/c1-9(8-13-2)12(16)14(3)10-6-4-5-7-11(10)15/h9-11,13,15H,4-8H2,1-3H3
InChIKeyLXCCRJSUXDIXQV-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.60
Rot. Bonds4

About N-(2-hydroxycyclohexyl)-N,2-dimethyl-3-(methylamino)propanamide

N-(2-hydroxycyclohexyl)-N,2-dimethyl-3-(methylamino)propanamide (PubChem CID 102632043) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-N,2-dimethyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-N,2-dimethyl-3-(methylamino)propanamide
PubChem CID102632043
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(2-hydroxycyclohexyl)-N,2-dimethyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)N(C)C1CCCCC1O
InChIInChI=1S/C12H24N2O2/c1-9(8-13-2)12(16)14(3)10-6-4-5-7-11(10)15/h9-11,13,15H,4-8H2,1-3H3
InChIKeyLXCCRJSUXDIXQV-UHFFFAOYSA-N
XLogP0.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-N,2-dimethyl-3-(methylamino)propanamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-N,2-dimethyl-3-(methylamino)propanamide (CID 102632043) is N-(2-hydroxycyclohexyl)-N,2-dimethyl-3-(methylamino)propanamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-N,2-dimethyl-3-(methylamino)propanamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-N,2-dimethyl-3-(methylamino)propanamide is CNCC(C)C(=O)N(C)C1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-N,2-dimethyl-3-(methylamino)propanamide?
The InChIKey is LXCCRJSUXDIXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(8-13-2)12(16)14(3)10-6-4-5-7-11(10)15/h9-11,13,15H,4-8H2,1-3H3.
What are the key properties of N-(2-hydroxycyclohexyl)-N,2-dimethyl-3-(methylamino)propanamide?
N-(2-hydroxycyclohexyl)-N,2-dimethyl-3-(methylamino)propanamide has a molecular weight of 228.34 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-N,2-dimethyl-3-(methylamino)propanamide is sourced from PubChem (CID 102632043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).