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

C23H26ClNO2 — CID 7653002

IUPAC(2R)-2-(2-chloro-4-phenylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESC[C@@H](Oc1ccc(-c2ccccc2)cc1Cl)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C23H26ClNO2/c1-17(23(26)25-15-14-18-8-4-2-5-9-18)27-22-13-12-20(16-21(22)24)19-10-6-3-7-11-19/h3,6-8,10-13,16-17H,2,4-5,9,14-15H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyNZGQVNAFHOWEFB-QGZVFWFLSA-N
MW383.92 g/mol
LogP5.78
Rot. Bonds7

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

(2R)-2-(2-chloro-4-phenylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide (PubChem CID 7653002) has the molecular formula C23H26ClNO2 and a molecular weight of 383.92 g/mol. Its IUPAC name is (2R)-2-(2-chloro-4-phenylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-chloro-4-phenylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
PubChem CID7653002
Molecular FormulaC23H26ClNO2
Molecular Weight383.92 g/mol
Exact Mass383.17
IUPAC Name(2R)-2-(2-chloro-4-phenylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESC[C@@H](Oc1ccc(-c2ccccc2)cc1Cl)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C23H26ClNO2/c1-17(23(26)25-15-14-18-8-4-2-5-9-18)27-22-13-12-20(16-21(22)24)19-10-6-3-7-11-19/h3,6-8,10-13,16-17H,2,4-5,9,14-15H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyNZGQVNAFHOWEFB-QGZVFWFLSA-N
XLogP5.78
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.92
LogP ≤ 55.78
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

N-[2-(cyclohexen-1-yl)ethyl]-2-(4-phenylphenoxy)propanamide
CID 4951754
2-(2-bromophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 112777989
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477025
(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
(2S)-2-(2-chloro-4-phenylphenoxy)-N-cyclopentylpropanamide
CID 7652970
(2R)-2-(2-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 92674990
(2S)-2-(2-chlorophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 92674991
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388806
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 925253
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
2-(3-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 4819958

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chloro-4-phenylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The IUPAC name of (2R)-2-(2-chloro-4-phenylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide (CID 7653002) is (2R)-2-(2-chloro-4-phenylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(2-chloro-4-phenylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(2-chloro-4-phenylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide is C[C@@H](Oc1ccc(-c2ccccc2)cc1Cl)C(=O)NCCC1=CCCCC1.
What is the InChIKey of (2R)-2-(2-chloro-4-phenylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The InChIKey is NZGQVNAFHOWEFB-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26ClNO2/c1-17(23(26)25-15-14-18-8-4-2-5-9-18)27-22-13-12-20(16-21(22)24)19-10-6-3-7-11-19/h3,6-8,10-13,16-17H,2,4-5,9,14-15H2,1H3,(H,25,26)/t17-/m1/s1.
What are the key properties of (2R)-2-(2-chloro-4-phenylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
(2R)-2-(2-chloro-4-phenylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide has a molecular weight of 383.92 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chloro-4-phenylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]propanamide is sourced from PubChem (CID 7653002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).