2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)propyl]propanamide

C14H20Cl2N2O2 — CID 2862042

IUPAC2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)propyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCCCN(C)C
InChIInChI=1S/C14H20Cl2N2O2/c1-10(14(19)17-7-4-8-18(2)3)20-13-6-5-11(15)9-12(13)16/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,19)
InChIKeyPMYUXOBZZYRMQE-UHFFFAOYSA-N
MW319.23 g/mol
LogP2.83
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)propyl]propanamide

2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)propyl]propanamide (PubChem CID 2862042) has the molecular formula C14H20Cl2N2O2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)propyl]propanamide
PubChem CID2862042
Molecular FormulaC14H20Cl2N2O2
Molecular Weight319.23 g/mol
Exact Mass318.09
IUPAC Name2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)propyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCCCN(C)C
InChIInChI=1S/C14H20Cl2N2O2/c1-10(14(19)17-7-4-8-18(2)3)20-13-6-5-11(15)9-12(13)16/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,19)
InChIKeyPMYUXOBZZYRMQE-UHFFFAOYSA-N
XLogP2.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 52.83
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

2-(4-Chlorophenoxy)-N-(2-(diethylamino)ethyl)acetamide
CID 28554
139520-94-8
CID 1475957
N-(Propyl(2-(2,4,6-trichlorophenoxy)ethyl)carbamoyl)formamide
CID 57472173
Acetamide, 2-(4-chlorophenoxy)-N-(2-(1-pyrrolidinyl)ethyl)-, monohydrochloride
CID 3052206
(2S)-N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 69117064
2-(2-chlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 2422308
N-cyclopropyl-2-(2,3-dichlorophenoxy)acetamide
CID 2602935
Acetamide, 2-(2,4-dichlorophenoxy)-N-(2-(diethylamino)ethyl)-
CID 206267
2-(2,4-Dichlorophenoxy)acetamide
CID 74798
2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 1571645
2-chloro-N-[2-(2,4-dichlorophenoxy)ethyl]acetamide
CID 3614497
2-(2,4-dichlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2557714

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)propyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)propyl]propanamide (CID 2862042) is 2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)propyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)propyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)propyl]propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCCN(C)C.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)propyl]propanamide?
The InChIKey is PMYUXOBZZYRMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2/c1-10(14(19)17-7-4-8-18(2)3)20-13-6-5-11(15)9-12(13)16/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,19).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)propyl]propanamide?
2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)propyl]propanamide has a molecular weight of 319.23 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[3-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 2862042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).