[4-(diethylaminomethyl)phenyl]-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone

C22H30N2O3 — CID 102557628

IUPAC[4-(diethylaminomethyl)phenyl]-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone
SMILESCCc1ccc(C2COCCN2C(=O)c2ccc(CN(CC)CC)cc2)o1
InChIInChI=1S/C22H30N2O3/c1-4-19-11-12-21(27-19)20-16-26-14-13-24(20)22(25)18-9-7-17(8-10-18)15-23(5-2)6-3/h7-12,20H,4-6,13-16H2,1-3H3
InChIKeyQIMIGXYNLSWYSH-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.90
Rot. Bonds7

About [4-(diethylaminomethyl)phenyl]-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone

[4-(diethylaminomethyl)phenyl]-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone (PubChem CID 102557628) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is [4-(diethylaminomethyl)phenyl]-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-(diethylaminomethyl)phenyl]-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone
PubChem CID102557628
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name[4-(diethylaminomethyl)phenyl]-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone
SMILESCCc1ccc(C2COCCN2C(=O)c2ccc(CN(CC)CC)cc2)o1
InChIInChI=1S/C22H30N2O3/c1-4-19-11-12-21(27-19)20-16-26-14-13-24(20)22(25)18-9-7-17(8-10-18)15-23(5-2)6-3/h7-12,20H,4-6,13-16H2,1-3H3
InChIKeyQIMIGXYNLSWYSH-UHFFFAOYSA-N
XLogP3.90
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3R)-3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124683969
4-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 119185550
2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 119185554
2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-4-carboxylic acid
CID 122055723
3-[[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]amino]propanoic acid
CID 122017688
[(3R)-3-(5-ethylfuran-2-yl)morpholin-4-yl]-(5,6,7,8-tetrahydroquinolin-2-yl)methanone
CID 97059417
[3-(5-ethylfuran-2-yl)morpholin-4-yl]-(5,6,7,8-tetrahydroquinolin-2-yl)methanone
CID 71911578
(3-chloro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone
CID 139002451
[4-[(dimethylamino)methyl]phenyl]-[(3S)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 125002959
1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-3-hydroxy-3-phenylbutan-1-one
CID 110025457
N-[2-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 126769209
(5-ethylfuran-2-yl)-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129327673

Frequently Asked Questions

What is the IUPAC name of [4-(diethylaminomethyl)phenyl]-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone?
The IUPAC name of [4-(diethylaminomethyl)phenyl]-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone (CID 102557628) is [4-(diethylaminomethyl)phenyl]-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [4-(diethylaminomethyl)phenyl]-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for [4-(diethylaminomethyl)phenyl]-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone is CCc1ccc(C2COCCN2C(=O)c2ccc(CN(CC)CC)cc2)o1.
What is the InChIKey of [4-(diethylaminomethyl)phenyl]-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone?
The InChIKey is QIMIGXYNLSWYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-4-19-11-12-21(27-19)20-16-26-14-13-24(20)22(25)18-9-7-17(8-10-18)15-23(5-2)6-3/h7-12,20H,4-6,13-16H2,1-3H3.
What are the key properties of [4-(diethylaminomethyl)phenyl]-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone?
[4-(diethylaminomethyl)phenyl]-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone has a molecular weight of 370.49 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylaminomethyl)phenyl]-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 102557628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).