(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide

C18H25NO3 — CID 925253

IUPAC(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(O[C@H](C)C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C18H25NO3/c1-14(22-17-10-8-16(21-2)9-11-17)18(20)19-13-12-15-6-4-3-5-7-15/h6,8-11,14H,3-5,7,12-13H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyUFBAWUJTLFNNMO-CQSZACIVSA-N
MW303.40 g/mol
LogP3.47
Rot. Bonds7

About (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide

(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide (PubChem CID 925253) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
PubChem CID925253
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(O[C@H](C)C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C18H25NO3/c1-14(22-17-10-8-16(21-2)9-11-17)18(20)19-13-12-15-6-4-3-5-7-15/h6,8-11,14H,3-5,7,12-13H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeyUFBAWUJTLFNNMO-CQSZACIVSA-N
XLogP3.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide
CID 4951754
(2R)-2-(4-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7503312
ethyl 4-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]oxybenzoate
CID 7471627
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 7861225
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8549828
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44998295
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388806
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 24594322
2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 4819958
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]propanediamide
CID 108942894
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
CID 29261446
[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 3-methoxybenzoate
CID 17474059

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide (CID 925253) is (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide is COc1ccc(O[C@H](C)C(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide?
The InChIKey is UFBAWUJTLFNNMO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H25NO3/c1-14(22-17-10-8-16(21-2)9-11-17)18(20)19-13-12-15-6-4-3-5-7-15/h6,8-11,14H,3-5,7,12-13H2,1-2H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide?
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide has a molecular weight of 303.40 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 925253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).