N-[(1R,2R,6R)-4-methyl-2-propan-2-yloxy-6-prop-2-enoxycyclohex-3-en-1-yl]acetamide

C15H25NO3 — CID 59076544

IUPACN-[(1R,2R,6R)-4-methyl-2-propan-2-yloxy-6-prop-2-enoxycyclohex-3-en-1-yl]acetamide
SMILESC=CCO[C@@H]1CC(C)=C[C@@H](OC(C)C)[C@@H]1NC(C)=O
InChIInChI=1S/C15H25NO3/c1-6-7-18-13-8-11(4)9-14(19-10(2)3)15(13)16-12(5)17/h6,9-10,13-15H,1,7-8H2,2-5H3,(H,16,17)/t13-,14-,15-/m1/s1
InChIKeyOMCMZHMLVNDMMF-RBSFLKMASA-N
MW267.37 g/mol
LogP2.21
Rot. Bonds6

About N-[(1R,2R,6R)-4-methyl-2-propan-2-yloxy-6-prop-2-enoxycyclohex-3-en-1-yl]acetamide

N-[(1R,2R,6R)-4-methyl-2-propan-2-yloxy-6-prop-2-enoxycyclohex-3-en-1-yl]acetamide (PubChem CID 59076544) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[(1R,2R,6R)-4-methyl-2-propan-2-yloxy-6-prop-2-enoxycyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,6R)-4-methyl-2-propan-2-yloxy-6-prop-2-enoxycyclohex-3-en-1-yl]acetamide
PubChem CID59076544
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC NameN-[(1R,2R,6R)-4-methyl-2-propan-2-yloxy-6-prop-2-enoxycyclohex-3-en-1-yl]acetamide
SMILESC=CCO[C@@H]1CC(C)=C[C@@H](OC(C)C)[C@@H]1NC(C)=O
InChIInChI=1S/C15H25NO3/c1-6-7-18-13-8-11(4)9-14(19-10(2)3)15(13)16-12(5)17/h6,9-10,13-15H,1,7-8H2,2-5H3,(H,16,17)/t13-,14-,15-/m1/s1
InChIKeyOMCMZHMLVNDMMF-RBSFLKMASA-N
XLogP2.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1R,2R,6R)-4-methyl-2-propan-2-yloxy-6-prop-2-enoxycyclohex-3-en-1-yl]acetamide with MolForge

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Related Compounds

N-[(3R,4S)-4-prop-2-enoxynon-1-en-3-yl]acetamide
CID 164672103
N-[(1R,2R,6R)-4,6-dimethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
CID 58150806
N-[(1R,2R,6S)-4-methyl-2-pentan-3-yloxy-6-prop-2-enylcyclohex-3-en-1-yl]acetamide
CID 59076453
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,6S)-4-methyl-2-propan-2-yloxy-6-prop-2-enylcyclohex-3-en-1-yl]acetamide
CID 59076486
N-[(1R,2R,6R)-6-(1-ethoxyethoxy)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
CID 59076491
N-[(1R,2R,6S)-6-ethenyl-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
CID 59076498
N-[(1R,2R,6R)-6-ethenyl-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
CID 59076501
N-[(1R,2S,6R)-4-methyl-6-propan-2-yloxy-2-prop-2-enylcyclohex-3-en-1-yl]acetamide
CID 59076521
N-[(1S,2R,6S)-6-ethenyl-6-hydroxy-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
CID 59076542
N-[(1S,2R)-4-methyl-6-oxo-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
CID 59076557

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,6R)-4-methyl-2-propan-2-yloxy-6-prop-2-enoxycyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[(1R,2R,6R)-4-methyl-2-propan-2-yloxy-6-prop-2-enoxycyclohex-3-en-1-yl]acetamide (CID 59076544) is N-[(1R,2R,6R)-4-methyl-2-propan-2-yloxy-6-prop-2-enoxycyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2R,6R)-4-methyl-2-propan-2-yloxy-6-prop-2-enoxycyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1R,2R,6R)-4-methyl-2-propan-2-yloxy-6-prop-2-enoxycyclohex-3-en-1-yl]acetamide is C=CCO[C@@H]1CC(C)=C[C@@H](OC(C)C)[C@@H]1NC(C)=O.
What is the InChIKey of N-[(1R,2R,6R)-4-methyl-2-propan-2-yloxy-6-prop-2-enoxycyclohex-3-en-1-yl]acetamide?
The InChIKey is OMCMZHMLVNDMMF-RBSFLKMASA-N. The full InChI is InChI=1S/C15H25NO3/c1-6-7-18-13-8-11(4)9-14(19-10(2)3)15(13)16-12(5)17/h6,9-10,13-15H,1,7-8H2,2-5H3,(H,16,17)/t13-,14-,15-/m1/s1.
What are the key properties of N-[(1R,2R,6R)-4-methyl-2-propan-2-yloxy-6-prop-2-enoxycyclohex-3-en-1-yl]acetamide?
N-[(1R,2R,6R)-4-methyl-2-propan-2-yloxy-6-prop-2-enoxycyclohex-3-en-1-yl]acetamide has a molecular weight of 267.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,6R)-4-methyl-2-propan-2-yloxy-6-prop-2-enoxycyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 59076544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).