N-[5-chloro-2-(4-methylphenoxy)phenyl]-4-(2-methoxyethoxy)butanamide

C20H24ClNO4 — CID 60567428

IUPACN-[5-chloro-2-(4-methylphenoxy)phenyl]-4-(2-methoxyethoxy)butanamide
SMILESCOCCOCCCC(=O)Nc1cc(Cl)ccc1Oc1ccc(C)cc1
InChIInChI=1S/C20H24ClNO4/c1-15-5-8-17(9-6-15)26-19-10-7-16(21)14-18(19)22-20(23)4-3-11-25-13-12-24-2/h5-10,14H,3-4,11-13H2,1-2H3,(H,22,23)
InChIKeyYBHNXHGUTOXOKJ-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.82
Rot. Bonds10

About N-[5-chloro-2-(4-methylphenoxy)phenyl]-4-(2-methoxyethoxy)butanamide

N-[5-chloro-2-(4-methylphenoxy)phenyl]-4-(2-methoxyethoxy)butanamide (PubChem CID 60567428) has the molecular formula C20H24ClNO4 and a molecular weight of 377.87 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylphenoxy)phenyl]-4-(2-methoxyethoxy)butanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylphenoxy)phenyl]-4-(2-methoxyethoxy)butanamide
PubChem CID60567428
Molecular FormulaC20H24ClNO4
Molecular Weight377.87 g/mol
Exact Mass377.14
IUPAC NameN-[5-chloro-2-(4-methylphenoxy)phenyl]-4-(2-methoxyethoxy)butanamide
SMILESCOCCOCCCC(=O)Nc1cc(Cl)ccc1Oc1ccc(C)cc1
InChIInChI=1S/C20H24ClNO4/c1-15-5-8-17(9-6-15)26-19-10-7-16(21)14-18(19)22-20(23)4-3-11-25-13-12-24-2/h5-10,14H,3-4,11-13H2,1-2H3,(H,22,23)
InChIKeyYBHNXHGUTOXOKJ-UHFFFAOYSA-N
XLogP4.82
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethoxy)-N-[2-(4-methylphenoxy)phenyl]butanamide
CID 60567368
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-ethoxypropanamide
CID 56501217
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]pentanamide
CID 2563930
2-(4-acetamidophenyl)-N-[5-chloro-2-(4-methylphenoxy)phenyl]acetamide
CID 18195978
N-(5-chloro-2-methoxyphenyl)-4-(4-ethylphenoxy)butanamide
CID 19184672
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-(3,4-dimethylphenyl)propanamide
CID 100665009
N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
N-[5-chloro-2-(4-methylphenoxy)phenyl]furan-3-carboxamide
CID 34131638
N-[5-chloro-2-(4-methylphenoxy)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 16561188
N-(5-chloro-2-methoxyphenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55906615
4-(4-chloro-2-methylphenoxy)-N-[4-[4-[4-(4-chloro-2-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 5198436
N-[5-chloro-2-(2-methoxyethoxy)phenyl]-4-phenylbutanamide
CID 164852021

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylphenoxy)phenyl]-4-(2-methoxyethoxy)butanamide?
The IUPAC name of N-[5-chloro-2-(4-methylphenoxy)phenyl]-4-(2-methoxyethoxy)butanamide (CID 60567428) is N-[5-chloro-2-(4-methylphenoxy)phenyl]-4-(2-methoxyethoxy)butanamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylphenoxy)phenyl]-4-(2-methoxyethoxy)butanamide?
The canonical SMILES for N-[5-chloro-2-(4-methylphenoxy)phenyl]-4-(2-methoxyethoxy)butanamide is COCCOCCCC(=O)Nc1cc(Cl)ccc1Oc1ccc(C)cc1.
What is the InChIKey of N-[5-chloro-2-(4-methylphenoxy)phenyl]-4-(2-methoxyethoxy)butanamide?
The InChIKey is YBHNXHGUTOXOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO4/c1-15-5-8-17(9-6-15)26-19-10-7-16(21)14-18(19)22-20(23)4-3-11-25-13-12-24-2/h5-10,14H,3-4,11-13H2,1-2H3,(H,22,23).
What are the key properties of N-[5-chloro-2-(4-methylphenoxy)phenyl]-4-(2-methoxyethoxy)butanamide?
N-[5-chloro-2-(4-methylphenoxy)phenyl]-4-(2-methoxyethoxy)butanamide has a molecular weight of 377.87 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylphenoxy)phenyl]-4-(2-methoxyethoxy)butanamide is sourced from PubChem (CID 60567428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).