N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-2-(4-phenylmethoxyanilino)ethoxy]acetamide

C25H30N2O4 — CID 5026304

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-2-(4-phenylmethoxyanilino)ethoxy]acetamide
SMILESO=C(COCC(=O)Nc1ccc(OCc2ccccc2)cc1)NCCC1=CCCCC1
InChIInChI=1S/C25H30N2O4/c28-24(26-16-15-20-7-3-1-4-8-20)18-30-19-25(29)27-22-11-13-23(14-12-22)31-17-21-9-5-2-6-10-21/h2,5-7,9-14H,1,3-4,8,15-19H2,(H,26,28)(H,27,29)
InChIKeyUZBYKHJRPPLLJX-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.23
Rot. Bonds11

About N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-2-(4-phenylmethoxyanilino)ethoxy]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-2-(4-phenylmethoxyanilino)ethoxy]acetamide (PubChem CID 5026304) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-2-(4-phenylmethoxyanilino)ethoxy]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-2-(4-phenylmethoxyanilino)ethoxy]acetamide
PubChem CID5026304
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-2-(4-phenylmethoxyanilino)ethoxy]acetamide
SMILESO=C(COCC(=O)Nc1ccc(OCc2ccccc2)cc1)NCCC1=CCCCC1
InChIInChI=1S/C25H30N2O4/c28-24(26-16-15-20-7-3-1-4-8-20)18-30-19-25(29)27-22-11-13-23(14-12-22)31-17-21-9-5-2-6-10-21/h2,5-7,9-14H,1,3-4,8,15-19H2,(H,26,28)(H,27,29)
InChIKeyUZBYKHJRPPLLJX-UHFFFAOYSA-N
XLogP4.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.23
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

N-[2-(cyclohexen-1-yl)ethyl]-3-(4-phenylmethoxyanilino)propanamide
CID 109014767
2-(4-anilinophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 18225951
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883
N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 703716
N-[2-(cyclohexen-1-yl)ethyl]-N'-(4-ethylphenyl)propanediamide
CID 108942962
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-ethoxyanilino)propanamide
CID 109014741
N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-2-(2-methoxyphenoxy)acetamide
CID 112980859
N-[2-(cyclohexen-1-yl)ethyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 18087843
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 108993941
N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-ylacetamide
CID 27666304
N-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide
CID 109014685

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-2-(4-phenylmethoxyanilino)ethoxy]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-2-(4-phenylmethoxyanilino)ethoxy]acetamide (CID 5026304) is N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-2-(4-phenylmethoxyanilino)ethoxy]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-2-(4-phenylmethoxyanilino)ethoxy]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-2-(4-phenylmethoxyanilino)ethoxy]acetamide is O=C(COCC(=O)Nc1ccc(OCc2ccccc2)cc1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-2-(4-phenylmethoxyanilino)ethoxy]acetamide?
The InChIKey is UZBYKHJRPPLLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c28-24(26-16-15-20-7-3-1-4-8-20)18-30-19-25(29)27-22-11-13-23(14-12-22)31-17-21-9-5-2-6-10-21/h2,5-7,9-14H,1,3-4,8,15-19H2,(H,26,28)(H,27,29).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-2-(4-phenylmethoxyanilino)ethoxy]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-2-(4-phenylmethoxyanilino)ethoxy]acetamide has a molecular weight of 422.53 g/mol, XLogP of 4.23, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-[2-oxo-2-(4-phenylmethoxyanilino)ethoxy]acetamide is sourced from PubChem (CID 5026304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).