2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide

C15H22Cl2N2O2 — CID 43515791

IUPAC2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
SMILESCCCNCc1cc(Cl)cc(Cl)c1OCC(=O)NC(C)C
InChIInChI=1S/C15H22Cl2N2O2/c1-4-5-18-8-11-6-12(16)7-13(17)15(11)21-9-14(20)19-10(2)3/h6-7,10,18H,4-5,8-9H2,1-3H3,(H,19,20)
InChIKeyCYLBBEBPCWAQRV-UHFFFAOYSA-N
MW333.26 g/mol
LogP3.40
Rot. Bonds8

About 2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide

2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide (PubChem CID 43515791) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
PubChem CID43515791
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
SMILESCCCNCc1cc(Cl)cc(Cl)c1OCC(=O)NC(C)C
InChIInChI=1S/C15H22Cl2N2O2/c1-4-5-18-8-11-6-12(16)7-13(17)15(11)21-9-14(20)19-10(2)3/h6-7,10,18H,4-5,8-9H2,1-3H3,(H,19,20)
InChIKeyCYLBBEBPCWAQRV-UHFFFAOYSA-N
XLogP3.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyanomethyl)-2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]acetamide
CID 60888684
N-propan-2-yl-2-(2,4,6-trichlorophenoxy)acetamide;hydrate
CID 131860957
2-[2-(2-aminobutyl)-4,6-dichlorophenoxy]-N-propan-2-ylacetamide
CID 60907916
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486830
2-[2-methyl-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 115952813
3,5-dichloro-2-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid
CID 43516130
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine
CID 43515784
2-[4-chloro-2-methoxy-6-(propylaminomethyl)phenoxy]-N-ethylacetamide
CID 104664816
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 115954939
N-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106449939
2-[4-fluoro-2-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107695944
2-[2,4-dichloro-6-(methylaminomethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486646

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide (CID 43515791) is 2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide is CCCNCc1cc(Cl)cc(Cl)c1OCC(=O)NC(C)C.
What is the InChIKey of 2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
The InChIKey is CYLBBEBPCWAQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2/c1-4-5-18-8-11-6-12(16)7-13(17)15(11)21-9-14(20)19-10(2)3/h6-7,10,18H,4-5,8-9H2,1-3H3,(H,19,20).
What are the key properties of 2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide?
2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide has a molecular weight of 333.26 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dichloro-6-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 43515791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).