2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)propanamide

C12H24N2O3 — CID 102731613

IUPAC2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H24N2O3/c1-9(12(16)13-7-8-17-2)14-10-5-3-4-6-11(10)15/h9-11,14-15H,3-8H2,1-2H3,(H,13,16)/t9?,10-,11-/m1/s1
InChIKeyXYLJJDQIYXUEPB-FHZGLPGMSA-N
MW244.33 g/mol
LogP0.03
Rot. Bonds6

About 2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)propanamide

2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)propanamide (PubChem CID 102731613) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)propanamide
PubChem CID102731613
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H24N2O3/c1-9(12(16)13-7-8-17-2)14-10-5-3-4-6-11(10)15/h9-11,14-15H,3-8H2,1-2H3,(H,13,16)/t9?,10-,11-/m1/s1
InChIKeyXYLJJDQIYXUEPB-FHZGLPGMSA-N
XLogP0.03
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-[(3-propan-2-ylcyclohexyl)amino]propanamide
CID 107448750
2-[(2-hydroxycyclohexyl)amino]-3-methoxypropanoic acid
CID 103249834
N-carbamoyl-2-[(2-hydroxycyclohexyl)amino]propanamide
CID 62359652
2-[[(1S)-1-cyclohexylethyl]amino]-N-(2-methoxyethyl)propanamide
CID 81384699
N-(2-methoxyethyl)-2-(spiro[3.5]nonan-3-ylamino)propanamide
CID 102952314
N-(2-methoxyethyl)-2-(propan-2-ylamino)propanamide
CID 43086718
2-[(1-methoxy-3-methylbutan-2-yl)amino]cyclohexan-1-ol
CID 65049574
N-(3-methoxypropyl)-2-[(2-methylcyclopropyl)amino]propanamide
CID 62398122
2-[(2-hydroxycyclohexyl)methylamino]-N-(3-methoxypropyl)propanamide
CID 64913690
2-(1-methoxypropan-2-ylamino)cyclopentan-1-ol
CID 60713672
2-(dicyclopropylmethylamino)-N-(2-methoxyethyl)propanamide
CID 60714122
N-tert-butyl-2-[[(1S,2S)-2-hydroxycyclopentyl]amino]propanamide
CID 102733998

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)propanamide (CID 102731613) is 2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is XYLJJDQIYXUEPB-FHZGLPGMSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(12(16)13-7-8-17-2)14-10-5-3-4-6-11(10)15/h9-11,14-15H,3-8H2,1-2H3,(H,13,16)/t9?,10-,11-/m1/s1.
What are the key properties of 2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)propanamide?
2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 244.33 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2R)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 102731613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).