N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-2-(2-methoxyphenoxy)acetamide

C23H28N2O3 — CID 112980859

IUPACN-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(NCCC2=CCCCC2)cc1
InChIInChI=1S/C23H28N2O3/c1-27-21-9-5-6-10-22(21)28-17-23(26)25-20-13-11-19(12-14-20)24-16-15-18-7-3-2-4-8-18/h5-7,9-14,24H,2-4,8,15-17H2,1H3,(H,25,26)
InChIKeyCPQWXMXQWRWTAP-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.02
Rot. Bonds9

About N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-2-(2-methoxyphenoxy)acetamide

N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 112980859) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID112980859
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(NCCC2=CCCCC2)cc1
InChIInChI=1S/C23H28N2O3/c1-27-21-9-5-6-10-22(21)28-17-23(26)25-20-13-11-19(12-14-20)24-16-15-18-7-3-2-4-8-18/h5-7,9-14,24H,2-4,8,15-17H2,1H3,(H,25,26)
InChIKeyCPQWXMXQWRWTAP-UHFFFAOYSA-N
XLogP5.02
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109183785
2-(2-methoxyphenoxy)-N-[4-(3-methoxypropylamino)phenyl]acetamide
CID 112981073
2-(2-methoxyphenoxy)-N-[4-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 112982660
5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109183740
N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,4-dimethoxyphenyl)propanediamide
CID 108942996
2-(2-methoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 675575
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 26054504
2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 108993813
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]acetamide
CID 108993930
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109113568
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 30945125

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-2-(2-methoxyphenoxy)acetamide (CID 112980859) is N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1ccc(NCCC2=CCCCC2)cc1.
What is the InChIKey of N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is CPQWXMXQWRWTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-27-21-9-5-6-10-22(21)28-17-23(26)25-20-13-11-19(12-14-20)24-16-15-18-7-3-2-4-8-18/h5-7,9-14,24H,2-4,8,15-17H2,1H3,(H,25,26).
What are the key properties of N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-2-(2-methoxyphenoxy)acetamide?
N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 380.49 g/mol, XLogP of 5.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 112980859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).