N-[(1R,2R,6S)-4-methyl-2-pentan-3-yloxy-6-prop-2-enylcyclohex-3-en-1-yl]acetamide

C17H29NO2 — CID 59076453

IUPACN-[(1R,2R,6S)-4-methyl-2-pentan-3-yloxy-6-prop-2-enylcyclohex-3-en-1-yl]acetamide
SMILESC=CC[C@H]1CC(C)=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O
InChIInChI=1S/C17H29NO2/c1-6-9-14-10-12(4)11-16(17(14)18-13(5)19)20-15(7-2)8-3/h6,11,14-17H,1,7-10H2,2-5H3,(H,18,19)/t14-,16+,17+/m0/s1
InChIKeyQLPSXZVCZPXFKM-USXIJHARSA-N
MW279.42 g/mol
LogP3.61
Rot. Bonds7

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

N-[(1R,2R,6S)-4-methyl-2-pentan-3-yloxy-6-prop-2-enylcyclohex-3-en-1-yl]acetamide (PubChem CID 59076453) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[(1R,2R,6S)-4-methyl-2-pentan-3-yloxy-6-prop-2-enylcyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,6S)-4-methyl-2-pentan-3-yloxy-6-prop-2-enylcyclohex-3-en-1-yl]acetamide
PubChem CID59076453
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[(1R,2R,6S)-4-methyl-2-pentan-3-yloxy-6-prop-2-enylcyclohex-3-en-1-yl]acetamide
SMILESC=CC[C@H]1CC(C)=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O
InChIInChI=1S/C17H29NO2/c1-6-9-14-10-12(4)11-16(17(14)18-13(5)19)20-15(7-2)8-3/h6,11,14-17H,1,7-10H2,2-5H3,(H,18,19)/t14-,16+,17+/m0/s1
InChIKeyQLPSXZVCZPXFKM-USXIJHARSA-N
XLogP3.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

2-amino-N-[(2S,3R,4S,5S)-4-methoxy-5-methyl-2-non-1-enyloxan-3-yl]acetamide
CID 57090390
N-[(1R,2R,6R)-4,6-dimethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
CID 58150806
N-[(1R,2R,6R)-6-hydroxy-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
CID 59076457
N-[(1R,2R,6R)-4-methyl-6-(2-oxoethyl)-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
CID 59076478
N-[(1R,2R,6R)-6-(2-hydroxyethyl)-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
CID 59076479
[(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,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,2R,6R)-4-methyl-6-(2-oxoethyl)-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
CID 59076503
N-[(1R,2S,6R)-4-methyl-6-propan-2-yloxy-2-prop-2-enylcyclohex-3-en-1-yl]acetamide
CID 59076521
N-[(1R,2R,6R)-6-(3-azido-2-hydroxypropyl)-4-methyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
CID 59076522

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,6S)-4-methyl-2-pentan-3-yloxy-6-prop-2-enylcyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[(1R,2R,6S)-4-methyl-2-pentan-3-yloxy-6-prop-2-enylcyclohex-3-en-1-yl]acetamide (CID 59076453) is N-[(1R,2R,6S)-4-methyl-2-pentan-3-yloxy-6-prop-2-enylcyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2R,6S)-4-methyl-2-pentan-3-yloxy-6-prop-2-enylcyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1R,2R,6S)-4-methyl-2-pentan-3-yloxy-6-prop-2-enylcyclohex-3-en-1-yl]acetamide is C=CC[C@H]1CC(C)=C[C@@H](OC(CC)CC)[C@@H]1NC(C)=O.
What is the InChIKey of N-[(1R,2R,6S)-4-methyl-2-pentan-3-yloxy-6-prop-2-enylcyclohex-3-en-1-yl]acetamide?
The InChIKey is QLPSXZVCZPXFKM-USXIJHARSA-N. The full InChI is InChI=1S/C17H29NO2/c1-6-9-14-10-12(4)11-16(17(14)18-13(5)19)20-15(7-2)8-3/h6,11,14-17H,1,7-10H2,2-5H3,(H,18,19)/t14-,16+,17+/m0/s1.
What are the key properties of N-[(1R,2R,6S)-4-methyl-2-pentan-3-yloxy-6-prop-2-enylcyclohex-3-en-1-yl]acetamide?
N-[(1R,2R,6S)-4-methyl-2-pentan-3-yloxy-6-prop-2-enylcyclohex-3-en-1-yl]acetamide has a molecular weight of 279.42 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,6S)-4-methyl-2-pentan-3-yloxy-6-prop-2-enylcyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 59076453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).