N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide

C19H27NO3 — CID 112788449

IUPACN-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide
SMILESC=CCc1ccc(OCC(=O)N(C)C2CCCCC2)c(OC)c1
InChIInChI=1S/C19H27NO3/c1-4-8-15-11-12-17(18(13-15)22-3)23-14-19(21)20(2)16-9-6-5-7-10-16/h4,11-13,16H,1,5-10,14H2,2-3H3
InChIKeyRHKCYKSLARPSJO-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.59
Rot. Bonds7

About N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide

N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide (PubChem CID 112788449) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide
PubChem CID112788449
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC NameN-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide
SMILESC=CCc1ccc(OCC(=O)N(C)C2CCCCC2)c(OC)c1
InChIInChI=1S/C19H27NO3/c1-4-8-15-11-12-17(18(13-15)22-3)23-14-19(21)20(2)16-9-6-5-7-10-16/h4,11-13,16H,1,5-10,14H2,2-3H3
InChIKeyRHKCYKSLARPSJO-UHFFFAOYSA-N
XLogP3.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 18083381
N-cyclohexyl-2-(2-methoxyphenoxy)-N-methylacetamide
CID 19169782
2-(2-methoxy-4-prop-2-enylphenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119530627
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide
CID 78796591
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide
CID 17414877
2-(2-methoxy-4-prop-2-enylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 134041956
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-methoxy-4-prop-2-enylphenoxy)ethanone
CID 119631826
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804101
2-[[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 119198611
(4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 174832447
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 112792859

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide (CID 112788449) is N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide is C=CCc1ccc(OCC(=O)N(C)C2CCCCC2)c(OC)c1.
What is the InChIKey of N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide?
The InChIKey is RHKCYKSLARPSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-4-8-15-11-12-17(18(13-15)22-3)23-14-19(21)20(2)16-9-6-5-7-10-16/h4,11-13,16H,1,5-10,14H2,2-3H3.
What are the key properties of N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide?
N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide has a molecular weight of 317.43 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-methoxy-4-prop-2-enylphenoxy)-N-methylacetamide is sourced from PubChem (CID 112788449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).