N-(cyclohexen-1-ylmethyl)-2-(3,5-dimethylphenoxy)propanamide

C18H25NO2 — CID 133211059

IUPACN-(cyclohexen-1-ylmethyl)-2-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)NCC2=CCCCC2)c1
InChIInChI=1S/C18H25NO2/c1-13-9-14(2)11-17(10-13)21-15(3)18(20)19-12-16-7-5-4-6-8-16/h7,9-11,15H,4-6,8,12H2,1-3H3,(H,19,20)
InChIKeyHILGTZBJNYTDKT-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.69
Rot. Bonds5

About N-(cyclohexen-1-ylmethyl)-2-(3,5-dimethylphenoxy)propanamide

N-(cyclohexen-1-ylmethyl)-2-(3,5-dimethylphenoxy)propanamide (PubChem CID 133211059) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-(cyclohexen-1-ylmethyl)-2-(3,5-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(cyclohexen-1-ylmethyl)-2-(3,5-dimethylphenoxy)propanamide
PubChem CID133211059
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-(cyclohexen-1-ylmethyl)-2-(3,5-dimethylphenoxy)propanamide
SMILESCc1cc(C)cc(OC(C)C(=O)NCC2=CCCCC2)c1
InChIInChI=1S/C18H25NO2/c1-13-9-14(2)11-17(10-13)21-15(3)18(20)19-12-16-7-5-4-6-8-16/h7,9-11,15H,4-6,8,12H2,1-3H3,(H,19,20)
InChIKeyHILGTZBJNYTDKT-UHFFFAOYSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide
CID 9181944
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92684033
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide
CID 24511209
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 99132130
2-(3,5-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767450
(2R)-2-(3,5-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94015246
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 925253
2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 53286403
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388806
ethyl 4-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]oxybenzoate
CID 7471627
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide
CID 4951754
(2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide
CID 40742748

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-ylmethyl)-2-(3,5-dimethylphenoxy)propanamide?
The IUPAC name of N-(cyclohexen-1-ylmethyl)-2-(3,5-dimethylphenoxy)propanamide (CID 133211059) is N-(cyclohexen-1-ylmethyl)-2-(3,5-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(cyclohexen-1-ylmethyl)-2-(3,5-dimethylphenoxy)propanamide?
The canonical SMILES for N-(cyclohexen-1-ylmethyl)-2-(3,5-dimethylphenoxy)propanamide is Cc1cc(C)cc(OC(C)C(=O)NCC2=CCCCC2)c1.
What is the InChIKey of N-(cyclohexen-1-ylmethyl)-2-(3,5-dimethylphenoxy)propanamide?
The InChIKey is HILGTZBJNYTDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13-9-14(2)11-17(10-13)21-15(3)18(20)19-12-16-7-5-4-6-8-16/h7,9-11,15H,4-6,8,12H2,1-3H3,(H,19,20).
What are the key properties of N-(cyclohexen-1-ylmethyl)-2-(3,5-dimethylphenoxy)propanamide?
N-(cyclohexen-1-ylmethyl)-2-(3,5-dimethylphenoxy)propanamide has a molecular weight of 287.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-ylmethyl)-2-(3,5-dimethylphenoxy)propanamide is sourced from PubChem (CID 133211059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).