N-[(1R,2R,6R)-6-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide

C16H29NO4 — CID 59076491

IUPACN-[(1R,2R,6R)-6-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
SMILESCCOC(C)O[C@@H]1CC(C)=C[C@@H](OC(C)C)[C@@H]1NC(C)=O
InChIInChI=1S/C16H29NO4/c1-7-19-13(6)21-15-9-11(4)8-14(20-10(2)3)16(15)17-12(5)18/h8,10,13-16H,7,9H2,1-6H3,(H,17,18)/t13?,14-,15-,16+/m1/s1
InChIKeyYPCMRHAACWRGDS-VIYLOZMYSA-N
MW299.41 g/mol
LogP2.40
Rot. Bonds7

About N-[(1R,2R,6R)-6-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide

N-[(1R,2R,6R)-6-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide (PubChem CID 59076491) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[(1R,2R,6R)-6-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,6R)-6-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
PubChem CID59076491
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC NameN-[(1R,2R,6R)-6-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
SMILESCCOC(C)O[C@@H]1CC(C)=C[C@@H](OC(C)C)[C@@H]1NC(C)=O
InChIInChI=1S/C16H29NO4/c1-7-19-13(6)21-15-9-11(4)8-14(20-10(2)3)16(15)17-12(5)18/h8,10,13-16H,7,9H2,1-6H3,(H,17,18)/t13?,14-,15-,16+/m1/s1
InChIKeyYPCMRHAACWRGDS-VIYLOZMYSA-N
XLogP2.40
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(1R,2R,6R)-6-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide 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

N-[(1R,2R,6R)-6-hydroxy-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
CID 59076457
[(1R,5R,6R)-6-acetamido-3-methyl-5-propan-2-yloxycyclohex-3-en-1-yl] acetate
CID 59076482
N-[(1R,2R,6R)-4-methyl-2-propan-2-yloxy-6-prop-2-enoxycyclohex-3-en-1-yl]acetamide
CID 59076544
N-[(1R,2R)-4-(1,3-dioxolan-2-yl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
CID 68344779
[(2R,3R,4S,5R,6R)-3-acetamido-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-ethyl-5-methyloxan-4-yl] acetate
CID 169911445
N-[1-[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]propyl]acetamide
CID 177723374
methyl (E)-4-[(4S,5S)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dioxan-4-yl]-3-methylbut-2-enoate
CID 6917367
N-[(1R,2R)-4-methyl-2-(2-methylbutoxy)cyclohex-3-en-1-yl]acetamide
CID 101135112
N-[(1R,2S)-4-methyl-2-(2-methylbutoxy)cyclohex-3-en-1-yl]acetamide
CID 101135113
N-[1-(6-methoxy-3,6-dihydro-2H-pyran-2-yl)ethyl]acetamide
CID 130020199

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,6R)-6-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[(1R,2R,6R)-6-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide (CID 59076491) is N-[(1R,2R,6R)-6-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2R,6R)-6-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1R,2R,6R)-6-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide is CCOC(C)O[C@@H]1CC(C)=C[C@@H](OC(C)C)[C@@H]1NC(C)=O.
What is the InChIKey of N-[(1R,2R,6R)-6-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
The InChIKey is YPCMRHAACWRGDS-VIYLOZMYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-7-19-13(6)21-15-9-11(4)8-14(20-10(2)3)16(15)17-12(5)18/h8,10,13-16H,7,9H2,1-6H3,(H,17,18)/t13?,14-,15-,16+/m1/s1.
What are the key properties of N-[(1R,2R,6R)-6-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide?
N-[(1R,2R,6R)-6-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide has a molecular weight of 299.41 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,6R)-6-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 59076491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).