(4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone

C17H25NO4 — CID 112762921

IUPAC(4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone
SMILESCCCCOc1ccc(C(=O)N2CCOCC2)cc1OCC
InChIInChI=1S/C17H25NO4/c1-3-5-10-22-15-7-6-14(13-16(15)21-4-2)17(19)18-8-11-20-12-9-18/h6-7,13H,3-5,8-12H2,1-2H3
InChIKeyBMXWJHNAXAZBLY-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.74
Rot. Bonds7

About (4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone

(4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone (PubChem CID 112762921) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is (4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone
PubChem CID112762921
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name(4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone
SMILESCCCCOc1ccc(C(=O)N2CCOCC2)cc1OCC
InChIInChI=1S/C17H25NO4/c1-3-5-10-22-15-7-6-14(13-16(15)21-4-2)17(19)18-8-11-20-12-9-18/h6-7,13H,3-5,8-12H2,1-2H3
InChIKeyBMXWJHNAXAZBLY-UHFFFAOYSA-N
XLogP2.74
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-4-ethoxyphenyl)-morpholin-4-ylmethanone
CID 28689916
[4-(1-aminoethyl)piperidin-1-yl]-(4-butoxy-3-ethoxyphenyl)methanone;hydrochloride
CID 119518919
(4-butoxy-3-ethoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 112759903
[3-ethoxy-4-(2-phenoxyethoxy)phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 55844203
(1-morpholin-4-yl-1-oxopropan-2-yl) 3-ethoxy-4-propoxybenzoate
CID 55326204
3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 5169130
1-[4-(4-hexoxy-3-methoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496456
(4-butoxy-2-methoxyquinolin-6-yl)-morpholin-4-ylmethanone
CID 177077600
morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone
CID 3399674
(3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400534
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
1-(4-butoxy-3-ethoxyphenyl)propan-1-one
CID 83952161

Frequently Asked Questions

What is the IUPAC name of (4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone (CID 112762921) is (4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone is CCCCOc1ccc(C(=O)N2CCOCC2)cc1OCC.
What is the InChIKey of (4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone?
The InChIKey is BMXWJHNAXAZBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-3-5-10-22-15-7-6-14(13-16(15)21-4-2)17(19)18-8-11-20-12-9-18/h6-7,13H,3-5,8-12H2,1-2H3.
What are the key properties of (4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone?
(4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone has a molecular weight of 307.39 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxy-3-ethoxyphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 112762921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).