4-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)butanamide

C17H25ClN2O3 — CID 3148041

IUPAC4-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)NCCN1CCOCC1
InChIInChI=1S/C17H25ClN2O3/c1-14-13-15(18)4-5-16(14)23-10-2-3-17(21)19-6-7-20-8-11-22-12-9-20/h4-5,13H,2-3,6-12H2,1H3,(H,19,21)
InChIKeyKWPMSPJPUDTJFO-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.26
Rot. Bonds8

About 4-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)butanamide

4-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)butanamide (PubChem CID 3148041) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)butanamide
PubChem CID3148041
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name4-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)NCCN1CCOCC1
InChIInChI=1S/C17H25ClN2O3/c1-14-13-15(18)4-5-16(14)23-10-2-3-17(21)19-6-7-20-8-11-22-12-9-20/h4-5,13H,2-3,6-12H2,1H3,(H,19,21)
InChIKeyKWPMSPJPUDTJFO-UHFFFAOYSA-N
XLogP2.26
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.26
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-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 4156120
2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 2931257
1-[2-(2,4-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 112973612
4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 2094963
4-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)butanamide
CID 2862808
4-(4-chloro-2-methylphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 2082722
2-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 55657854
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
4-(4-chloro-2-methylphenyl)-N-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113106058
1-(2-morpholin-4-ylethyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974407
ethyl 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]acetate
CID 4077817
4-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-chloro-2-methylphenoxy)butanoylamino]propyl]butanamide
CID 4125851

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)butanamide?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)butanamide (CID 3148041) is 4-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)butanamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)butanamide?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)butanamide is Cc1cc(Cl)ccc1OCCCC(=O)NCCN1CCOCC1.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)butanamide?
The InChIKey is KWPMSPJPUDTJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-14-13-15(18)4-5-16(14)23-10-2-3-17(21)19-6-7-20-8-11-22-12-9-20/h4-5,13H,2-3,6-12H2,1H3,(H,19,21).
What are the key properties of 4-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)butanamide?
4-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)butanamide has a molecular weight of 340.85 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)butanamide is sourced from PubChem (CID 3148041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).