N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-2-propoxyacetamide

C16H30N2O3 — CID 136585182

IUPACN-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NC[C@@H]1CCCC[C@@H]1N1CCOCC1
InChIInChI=1S/C16H30N2O3/c1-2-9-21-13-16(19)17-12-14-5-3-4-6-15(14)18-7-10-20-11-8-18/h14-15H,2-13H2,1H3,(H,17,19)/t14-,15-/m0/s1
InChIKeySZDKPJLXICNJPK-GJZGRUSLSA-N
MW298.43 g/mol
LogP1.42
Rot. Bonds7

About N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-2-propoxyacetamide

N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-2-propoxyacetamide (PubChem CID 136585182) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-2-propoxyacetamide
PubChem CID136585182
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NC[C@@H]1CCCC[C@@H]1N1CCOCC1
InChIInChI=1S/C16H30N2O3/c1-2-9-21-13-16(19)17-12-14-5-3-4-6-15(14)18-7-10-20-11-8-18/h14-15H,2-13H2,1H3,(H,17,19)/t14-,15-/m0/s1
InChIKeySZDKPJLXICNJPK-GJZGRUSLSA-N
XLogP1.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-2-propoxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dimethylmorpholin-4-yl)-N-(2-methylcyclohexyl)propanamide
CID 45840503
2-[(3-Methylcyclohexyl)oxy]-N-[4-(morpholin-4-YL)butan-2-YL]acetamide
CID 72013998
2-ethoxy-N-((1-isopropylpiperidin-4-yl)methyl)acetamide
CID 45558399
Rel-(9AR,13AS)-1-(methoxyacetyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
CID 110201188
N-(4-methylcyclohexyl)-2-[2-[(4-methylcyclohexyl)amino]-2-oxoethoxy]acetamide
CID 45841928
2-methoxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 47005449
2-methoxy-N-(2-propylcyclohexyl)acetamide
CID 56824749
N-[1-(Piperidin-1-ylmethyl)cyclohexyl]-2-propoxyacetamide
CID 129622083
1-butyl-3-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]urea
CID 136585215
N-[(1R)-1-cyclohexylethyl]-2-methoxyacetamide
CID 81385907
1-[(1R,2R)-2-ethylcyclohexyl]-3-(3-morpholin-4-ylpropyl)urea
CID 134839214
N-[1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 56165935

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-2-propoxyacetamide?
The IUPAC name of N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-2-propoxyacetamide (CID 136585182) is N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-2-propoxyacetamide.
What is the SMILES notation for N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-2-propoxyacetamide?
The canonical SMILES for N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-2-propoxyacetamide is CCCOCC(=O)NC[C@@H]1CCCC[C@@H]1N1CCOCC1.
What is the InChIKey of N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-2-propoxyacetamide?
The InChIKey is SZDKPJLXICNJPK-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-2-9-21-13-16(19)17-12-14-5-3-4-6-15(14)18-7-10-20-11-8-18/h14-15H,2-13H2,1H3,(H,17,19)/t14-,15-/m0/s1.
What are the key properties of N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-2-propoxyacetamide?
N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-2-propoxyacetamide has a molecular weight of 298.43 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S)-2-morpholin-4-ylcyclohexyl]methyl]-2-propoxyacetamide is sourced from PubChem (CID 136585182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).