morpholin-2-yl-(4-propoxyphenyl)methanone

C14H19NO3 — CID 116561682

IUPACmorpholin-2-yl-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)C2CNCCO2)cc1
InChIInChI=1S/C14H19NO3/c1-2-8-17-12-5-3-11(4-6-12)14(16)13-10-15-7-9-18-13/h3-6,13,15H,2,7-10H2,1H3
InChIKeyNJGULLJBXXRXQU-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.65
Rot. Bonds5

About morpholin-2-yl-(4-propoxyphenyl)methanone

morpholin-2-yl-(4-propoxyphenyl)methanone (PubChem CID 116561682) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is morpholin-2-yl-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Namemorpholin-2-yl-(4-propoxyphenyl)methanone
PubChem CID116561682
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemorpholin-2-yl-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)C2CNCCO2)cc1
InChIInChI=1S/C14H19NO3/c1-2-8-17-12-5-3-11(4-6-12)14(16)13-10-15-7-9-18-13/h3-6,13,15H,2,7-10H2,1H3
InChIKeyNJGULLJBXXRXQU-UHFFFAOYSA-N
XLogP1.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethoxyphenyl)-morpholin-2-ylmethanone
CID 116561587
N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide
CID 119714378
(4-methylsulfonylphenyl)-morpholin-2-ylmethanone
CID 116919550
ethyl 4-(morpholin-2-ylmethoxy)benzoate
CID 19983185
1-[4-(2-bromoethoxy)phenyl]-2-methyl-2-morpholin-2-ylpropan-1-one
CID 175227681
N-[2-(4-fluorophenoxy)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119695324
N-(3-butoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119745760
N-[2-(4-bromophenoxy)ethyl]morpholine-2-carboxamide
CID 119757535
(2-methylpyrrolidin-3-yl)-(4-propoxyphenyl)methanone
CID 116592105
(5-methyloxolan-3-yl)-(4-propoxyphenyl)methanone
CID 114971025
N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 119779586
(4-hexoxyphenyl)-piperidin-3-ylmethanone
CID 82550171

Frequently Asked Questions

What is the IUPAC name of morpholin-2-yl-(4-propoxyphenyl)methanone?
The IUPAC name of morpholin-2-yl-(4-propoxyphenyl)methanone (CID 116561682) is morpholin-2-yl-(4-propoxyphenyl)methanone.
What is the SMILES notation for morpholin-2-yl-(4-propoxyphenyl)methanone?
The canonical SMILES for morpholin-2-yl-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)C2CNCCO2)cc1.
What is the InChIKey of morpholin-2-yl-(4-propoxyphenyl)methanone?
The InChIKey is NJGULLJBXXRXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-8-17-12-5-3-11(4-6-12)14(16)13-10-15-7-9-18-13/h3-6,13,15H,2,7-10H2,1H3.
What are the key properties of morpholin-2-yl-(4-propoxyphenyl)methanone?
morpholin-2-yl-(4-propoxyphenyl)methanone has a molecular weight of 249.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-2-yl-(4-propoxyphenyl)methanone is sourced from PubChem (CID 116561682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).