4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide

C14H19Cl2NO3 — CID 2227549

IUPAC4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
SMILESCOCCCNC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO3/c1-19-8-3-7-17-14(18)4-2-9-20-13-6-5-11(15)10-12(13)16/h5-6,10H,2-4,7-9H2,1H3,(H,17,18)
InChIKeyZXGDJPWYCGPBNV-UHFFFAOYSA-N
MW320.22 g/mol
LogP3.31
Rot. Bonds9

About 4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide

4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide (PubChem CID 2227549) has the molecular formula C14H19Cl2NO3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
PubChem CID2227549
Molecular FormulaC14H19Cl2NO3
Molecular Weight320.22 g/mol
Exact Mass319.07
IUPAC Name4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
SMILESCOCCCNC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO3/c1-19-8-3-7-17-14(18)4-2-9-20-13-6-5-11(15)10-12(13)16/h5-6,10H,2-4,7-9H2,1H3,(H,17,18)
InChIKeyZXGDJPWYCGPBNV-UHFFFAOYSA-N
XLogP3.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
N-[3-(2,4-dichlorophenoxy)propyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119754516
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methoxypropyl)acetamide
CID 112991216
4-(2,4-dichlorophenoxy)-N-(3-methylsulfonylpropyl)butanamide
CID 60550353
N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-4-methoxybenzamide
CID 55878941
2-(2,4-dichlorophenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029604
4-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide;hydrochloride
CID 120561480
4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide
CID 2841932
4-(2,4-dichlorophenoxy)-N-prop-2-ynylbutanamide
CID 30600735
3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide
CID 94001130
4-[2-(2,4-dichlorophenoxy)ethylamino]-4-oxobutanoic acid
CID 9156378
N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]ethyl]-2-fluorobenzamide
CID 60551379

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide (CID 2227549) is 4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide is COCCCNC(=O)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide?
The InChIKey is ZXGDJPWYCGPBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3/c1-19-8-3-7-17-14(18)4-2-9-20-13-6-5-11(15)10-12(13)16/h5-6,10H,2-4,7-9H2,1H3,(H,17,18).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide?
4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide has a molecular weight of 320.22 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide is sourced from PubChem (CID 2227549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).