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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Related Compounds

4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid
CID 66254737
N-(cyclohexylmethyl)-2-(methylamino)-N-propylacetamide;hydrochloride
CID 119746850
2-(ethylamino)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102631990
3-[2-[[[(1R,2R)-2-hydroxycyclohexyl]-propylcarbamoyl]amino]phenyl]-N-methylpropanamide
CID 118769037
trans-(1R,2R)-2-[methyl(propyl)amino]cyclopentan-1-ol
CID 102734361
N-cyclopentyl-2-(methylamino)-N-(2-phenylethyl)acetamide
CID 119771582
trans-(1S,2S)-2-[2-hydroxyethyl(propyl)amino]cyclohexan-1-ol
CID 102731968
N'-[(2S)-2-hydroxycyclohexyl]-4-methyl-N'-propylbenzohydrazide
CID 155093821
2-[cyclopropyl(propyl)amino]cyclopentan-1-ol
CID 60886759
trans-(1R,2R)-2-[cyclopropyl(propyl)amino]cyclopentan-1-ol
CID 102734359
3-[ethyl-(2-hydroxycyclopentyl)amino]propanoic acid
CID 61011037
N-(2-hydroxycyclohexyl)-N,2-dimethyl-3-(methylamino)propanamide
CID 102632043

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).