N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide

C18H25NO3 — CID 109388806

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
SMILESCC(Oc1cccc(CO)c1)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C18H25NO3/c1-14(22-17-9-5-8-16(12-17)13-20)18(21)19-11-10-15-6-3-2-4-7-15/h5-6,8-9,12,14,20H,2-4,7,10-11,13H2,1H3,(H,19,21)
InChIKeyDXDRLELIRXRDKL-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.95
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide (PubChem CID 109388806) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
PubChem CID109388806
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
SMILESCC(Oc1cccc(CO)c1)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C18H25NO3/c1-14(22-17-9-5-8-16(12-17)13-20)18(21)19-11-10-15-6-3-2-4-7-15/h5-6,8-9,12,14,20H,2-4,7,10-11,13H2,1H3,(H,19,21)
InChIKeyDXDRLELIRXRDKL-UHFFFAOYSA-N
XLogP2.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 4819958
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 925253
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
[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 3-methoxybenzoate
CID 17474059
2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 112777989
ethyl 4-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]oxybenzoate
CID 7471627
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 43916356
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 38007399
N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388625
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92684033
(2S)-2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 7382518

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide (CID 109388806) is N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide is CC(Oc1cccc(CO)c1)C(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
The InChIKey is DXDRLELIRXRDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-14(22-17-9-5-8-16(12-17)13-20)18(21)19-11-10-15-6-3-2-4-7-15/h5-6,8-9,12,14,20H,2-4,7,10-11,13H2,1H3,(H,19,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide has a molecular weight of 303.40 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide is sourced from PubChem (CID 109388806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).