3-(furan-2-yl)-1-[3-(2-methoxyethyl)morpholin-4-yl]propan-1-one

C14H21NO4 — CID 136544071

IUPAC3-(furan-2-yl)-1-[3-(2-methoxyethyl)morpholin-4-yl]propan-1-one
SMILESCOCCC1COCCN1C(=O)CCc1ccco1
InChIInChI=1S/C14H21NO4/c1-17-9-6-12-11-18-10-7-15(12)14(16)5-4-13-3-2-8-19-13/h2-3,8,12H,4-7,9-11H2,1H3
InChIKeyBBJPMBSHKQGCKY-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.48
Rot. Bonds6

About 3-(furan-2-yl)-1-[3-(2-methoxyethyl)morpholin-4-yl]propan-1-one

3-(furan-2-yl)-1-[3-(2-methoxyethyl)morpholin-4-yl]propan-1-one (PubChem CID 136544071) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-[3-(2-methoxyethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-[3-(2-methoxyethyl)morpholin-4-yl]propan-1-one
PubChem CID136544071
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name3-(furan-2-yl)-1-[3-(2-methoxyethyl)morpholin-4-yl]propan-1-one
SMILESCOCCC1COCCN1C(=O)CCc1ccco1
InChIInChI=1S/C14H21NO4/c1-17-9-6-12-11-18-10-7-15(12)14(16)5-4-13-3-2-8-19-13/h2-3,8,12H,4-7,9-11H2,1H3
InChIKeyBBJPMBSHKQGCKY-UHFFFAOYSA-N
XLogP1.48
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(furan-2-yl)-1-[(3R)-3-(2-methylpropyl)morpholin-4-yl]propan-1-one
CID 95380638
1-[3-(2-methoxyethyl)morpholin-4-yl]-3-(3-methylimidazol-4-yl)propan-1-one
CID 154739322
3-(furan-2-yl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 79030540
1-[2-(3-bromopropyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 80676066
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-3-(furan-2-yl)propan-1-one
CID 80505042
1-[2-(2-bromoethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 80665660
1-[2-(bromomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 80659467
(2R,3R)-1-[3-(furan-2-yl)propanoyl]-2-methylpiperidine-3-carboxylic acid
CID 122116502
3-(5-methylfuran-2-yl)-1-[(3S)-3-phenacylmorpholin-4-yl]propan-1-one
CID 97320572
1-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 103352230
2-[4-[3-(furan-2-yl)propanoyl]thiomorpholin-3-yl]acetic acid
CID 66443081
5-methoxy-2-[3-(2-methoxyethyl)morpholine-4-carbonyl]pyran-4-one
CID 136544076

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-[3-(2-methoxyethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(furan-2-yl)-1-[3-(2-methoxyethyl)morpholin-4-yl]propan-1-one (CID 136544071) is 3-(furan-2-yl)-1-[3-(2-methoxyethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-[3-(2-methoxyethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-[3-(2-methoxyethyl)morpholin-4-yl]propan-1-one is COCCC1COCCN1C(=O)CCc1ccco1.
What is the InChIKey of 3-(furan-2-yl)-1-[3-(2-methoxyethyl)morpholin-4-yl]propan-1-one?
The InChIKey is BBJPMBSHKQGCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-17-9-6-12-11-18-10-7-15(12)14(16)5-4-13-3-2-8-19-13/h2-3,8,12H,4-7,9-11H2,1H3.
What are the key properties of 3-(furan-2-yl)-1-[3-(2-methoxyethyl)morpholin-4-yl]propan-1-one?
3-(furan-2-yl)-1-[3-(2-methoxyethyl)morpholin-4-yl]propan-1-one has a molecular weight of 267.32 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-[3-(2-methoxyethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 136544071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).