N-(2-acetamidoethyl)-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide

C13H24N2O3 — CID 97023264

IUPACN-(2-acetamidoethyl)-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide
SMILESCC(=O)NCCNC(=O)CO[C@H]1CCC[C@@H](C)C1
InChIInChI=1S/C13H24N2O3/c1-10-4-3-5-12(8-10)18-9-13(17)15-7-6-14-11(2)16/h10,12H,3-9H2,1-2H3,(H,14,16)(H,15,17)/t10-,12+/m1/s1
InChIKeyPERVIHRQOINKEM-PWSUYJOCSA-N
MW256.35 g/mol
LogP0.83
Rot. Bonds6

About N-(2-acetamidoethyl)-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide

N-(2-acetamidoethyl)-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide (PubChem CID 97023264) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide
PubChem CID97023264
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-(2-acetamidoethyl)-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide
SMILESCC(=O)NCCNC(=O)CO[C@H]1CCC[C@@H](C)C1
InChIInChI=1S/C13H24N2O3/c1-10-4-3-5-12(8-10)18-9-13(17)15-7-6-14-11(2)16/h10,12H,3-9H2,1-2H3,(H,14,16)(H,15,17)/t10-,12+/m1/s1
InChIKeyPERVIHRQOINKEM-PWSUYJOCSA-N
XLogP0.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-acetamidoethyl)-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide 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

5-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]pentanoic acid
CID 97234393
2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[4-[methyl-[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]butyl]acetamide
CID 124856388
2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 96531899
2-cyclopentyloxy-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119503016
N-cyclopentyl-2-[[2-(3-methylcyclohexyl)oxyacetyl]amino]propanamide
CID 75371129
1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone
CID 104751838
2-(3-methylcyclohexyl)oxy-N-(2-phenoxypropyl)acetamide
CID 86948525
methyl 4-[2-[(1R,3S)-3-methylcyclohexyl]oxyacetyl]piperazine-1-carboxylate
CID 96503144
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(3-methylcyclohexyl)oxyacetamide
CID 111450960
N-[(2E,4E,6E)-2-fluoro-6-nitronona-2,4,6-trien-5-yl]-2-(3-methylcyclohexyl)oxyacetamide
CID 142809875
N-(3-amino-2-methylphenyl)-2-(3-methylcyclohexyl)oxyacetamide
CID 43127290
N-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide
CID 97249076

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide (CID 97023264) is N-(2-acetamidoethyl)-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide is CC(=O)NCCNC(=O)CO[C@H]1CCC[C@@H](C)C1.
What is the InChIKey of N-(2-acetamidoethyl)-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide?
The InChIKey is PERVIHRQOINKEM-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10-4-3-5-12(8-10)18-9-13(17)15-7-6-14-11(2)16/h10,12H,3-9H2,1-2H3,(H,14,16)(H,15,17)/t10-,12+/m1/s1.
What are the key properties of N-(2-acetamidoethyl)-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide?
N-(2-acetamidoethyl)-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide has a molecular weight of 256.35 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide is sourced from PubChem (CID 97023264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).