2-(3-chlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide

C16H23ClN2O3 — CID 132760616

IUPAC2-(3-chlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H23ClN2O3/c1-2-15(22-14-5-3-4-13(17)12-14)16(20)18-6-7-19-8-10-21-11-9-19/h3-5,12,15H,2,6-11H2,1H3,(H,18,20)
InChIKeyZHSKWLKRDLCDJA-UHFFFAOYSA-N
MW326.82 g/mol
LogP1.95
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide

2-(3-chlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide (PubChem CID 132760616) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
PubChem CID132760616
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name2-(3-chlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NCCN1CCOCC1
InChIInChI=1S/C16H23ClN2O3/c1-2-15(22-14-5-3-4-13(17)12-14)16(20)18-6-7-19-8-10-21-11-9-19/h3-5,12,15H,2,6-11H2,1H3,(H,18,20)
InChIKeyZHSKWLKRDLCDJA-UHFFFAOYSA-N
XLogP1.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-morpholin-4-ylbutanamide
CID 7346204
(2R)-2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 28564718
(2R)-2-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 93486880
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
2-(3,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)butanamide
CID 43916472
2-(3-chlorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 133186777
(2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-4-yl)butanamide
CID 27234131
2-(3-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 21368370
2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 25236104
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
(2S)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxybutanamide
CID 27889691
2-(4-chlorophenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51159478

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide (CID 132760616) is 2-(3-chlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide is CCC(Oc1cccc(Cl)c1)C(=O)NCCN1CCOCC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide?
The InChIKey is ZHSKWLKRDLCDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-2-15(22-14-5-3-4-13(17)12-14)16(20)18-6-7-19-8-10-21-11-9-19/h3-5,12,15H,2,6-11H2,1H3,(H,18,20).
What are the key properties of 2-(3-chlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide?
2-(3-chlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide has a molecular weight of 326.82 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide is sourced from PubChem (CID 132760616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).