4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide

C20H25NO3 — CID 112793578

IUPAC4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide
SMILESCCCOc1ccccc1NC(=O)CCCOc1cccc(C)c1
InChIInChI=1S/C20H25NO3/c1-3-13-24-19-11-5-4-10-18(19)21-20(22)12-7-14-23-17-9-6-8-16(2)15-17/h4-6,8-11,15H,3,7,12-14H2,1-2H3,(H,21,22)
InChIKeyBBHHNWXLQKWRCK-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.58
Rot. Bonds9

About 4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide

4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide (PubChem CID 112793578) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide
PubChem CID112793578
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide
SMILESCCCOc1ccccc1NC(=O)CCCOc1cccc(C)c1
InChIInChI=1S/C20H25NO3/c1-3-13-24-19-11-5-4-10-18(19)21-20(22)12-7-14-23-17-9-6-8-16(2)15-17/h4-6,8-11,15H,3,7,12-14H2,1-2H3,(H,21,22)
InChIKeyBBHHNWXLQKWRCK-UHFFFAOYSA-N
XLogP4.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyphenyl)-4-(3-methylphenoxy)butanamide
CID 19173646
N-(2-ethoxyphenyl)-3-(3-methylphenoxy)propanamide
CID 2939056
4-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 19173643
5-chloro-N-(2-propoxyphenyl)pentanamide
CID 43697480
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
N-(2-butoxyphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 2072263
2-(3-methylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 17131381
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide
CID 17131186
N-[2-(dimethylsulfamoyl)phenyl]-4-(3-methylphenoxy)butanamide
CID 55983828
N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(3-fluorophenoxy)butanamide
CID 55965654

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide?
The IUPAC name of 4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide (CID 112793578) is 4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide.
What is the SMILES notation for 4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide?
The canonical SMILES for 4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide is CCCOc1ccccc1NC(=O)CCCOc1cccc(C)c1.
What is the InChIKey of 4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide?
The InChIKey is BBHHNWXLQKWRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-3-13-24-19-11-5-4-10-18(19)21-20(22)12-7-14-23-17-9-6-8-16(2)15-17/h4-6,8-11,15H,3,7,12-14H2,1-2H3,(H,21,22).
What are the key properties of 4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide?
4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide has a molecular weight of 327.42 g/mol, XLogP of 4.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)-N-(2-propoxyphenyl)butanamide is sourced from PubChem (CID 112793578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).