4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide

C16H22Cl2N2O3 — CID 4156120

IUPAC4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NCCN1CCOCC1
InChIInChI=1S/C16H22Cl2N2O3/c17-13-3-4-15(14(18)12-13)23-9-1-2-16(21)19-5-6-20-7-10-22-11-8-20/h3-4,12H,1-2,5-11H2,(H,19,21)
InChIKeyFZOILGWDWCVSQQ-UHFFFAOYSA-N
MW361.27 g/mol
LogP2.60
Rot. Bonds8

About 4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide

4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide (PubChem CID 4156120) has the molecular formula C16H22Cl2N2O3 and a molecular weight of 361.27 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
PubChem CID4156120
Molecular FormulaC16H22Cl2N2O3
Molecular Weight361.27 g/mol
Exact Mass360.10
IUPAC Name4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NCCN1CCOCC1
InChIInChI=1S/C16H22Cl2N2O3/c17-13-3-4-15(14(18)12-13)23-9-1-2-16(21)19-5-6-20-7-10-22-11-8-20/h3-4,12H,1-2,5-11H2,(H,19,21)
InChIKeyFZOILGWDWCVSQQ-UHFFFAOYSA-N
XLogP2.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 52.60
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-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 3148041
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
4-(2,4-dichlorophenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]butanamide
CID 39539485
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)urea
CID 108882401
2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975342
2-(2-chloro-4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 35161239
4-(2,4-dichlorophenoxy)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]butanamide
CID 32585405
4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
CID 2227549
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
3-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016616
4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
CID 2842888
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide (CID 4156120) is 4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide is O=C(CCCOc1ccc(Cl)cc1Cl)NCCN1CCOCC1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide?
The InChIKey is FZOILGWDWCVSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O3/c17-13-3-4-15(14(18)12-13)23-9-1-2-16(21)19-5-6-20-7-10-22-11-8-20/h3-4,12H,1-2,5-11H2,(H,19,21).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide?
4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide has a molecular weight of 361.27 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide is sourced from PubChem (CID 4156120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).