3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-1-ethyl-1-[1-(4-fluorophenyl)ethyl]urea

C20H30FN3O3 — CID 47066740

IUPAC3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-1-ethyl-1-[1-(4-fluorophenyl)ethyl]urea
SMILESCCN(C(=O)NCCC(=O)N1CC(C)OC(C)C1)C(C)c1ccc(F)cc1
InChIInChI=1S/C20H30FN3O3/c1-5-24(16(4)17-6-8-18(21)9-7-17)20(26)22-11-10-19(25)23-12-14(2)27-15(3)13-23/h6-9,14-16H,5,10-13H2,1-4H3,(H,22,26)
InChIKeyFVZDMJVUQOXYSL-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.94
Rot. Bonds6

About 3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-1-ethyl-1-[1-(4-fluorophenyl)ethyl]urea

3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-1-ethyl-1-[1-(4-fluorophenyl)ethyl]urea (PubChem CID 47066740) has the molecular formula C20H30FN3O3 and a molecular weight of 379.48 g/mol. Its IUPAC name is 3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-1-ethyl-1-[1-(4-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-1-ethyl-1-[1-(4-fluorophenyl)ethyl]urea
PubChem CID47066740
Molecular FormulaC20H30FN3O3
Molecular Weight379.48 g/mol
Exact Mass379.23
IUPAC Name3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-1-ethyl-1-[1-(4-fluorophenyl)ethyl]urea
SMILESCCN(C(=O)NCCC(=O)N1CC(C)OC(C)C1)C(C)c1ccc(F)cc1
InChIInChI=1S/C20H30FN3O3/c1-5-24(16(4)17-6-8-18(21)9-7-17)20(26)22-11-10-19(25)23-12-14(2)27-15(3)13-23/h6-9,14-16H,5,10-13H2,1-4H3,(H,22,26)
InChIKeyFVZDMJVUQOXYSL-UHFFFAOYSA-N
XLogP2.94
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzylmorpholine-4-carboxamide
CID 760018
N-(diphenylmethyl)morpholin-4-ylcarboxamide
CID 1538456
3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 54765676
N-(1-phenylethyl)morpholine-4-carboxamide
CID 3136314
methyl N-[(1-benzylpiperidin-4-yl)carbamoyl]-L-valinate
CID 664811
1-[2,2-Dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 2319024
N-[1-(3-isopropenylphenyl)-1-methylethyl]-2,6-dimethyl-4-morpholinecarboxamide
CID 2883152
N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-2,6-dimethylmorpholine-4-carboxamide
CID 4640618
4-N-[(4-fluorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 5123397
(S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-propionic acid methyl ester
CID 5423793
(4S,5S,6R)-5-acetyl-1-(2-methoxyethyl)-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one
CID 16745727
(4R,5S,6R)-5-acetyl-1-(2-methoxyethyl)-6-methyl-4-[3-(trifluoromethyl)phenyl]hexahydropyrimidin-2-one
CID 16759637

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-1-ethyl-1-[1-(4-fluorophenyl)ethyl]urea?
The IUPAC name of 3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-1-ethyl-1-[1-(4-fluorophenyl)ethyl]urea (CID 47066740) is 3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-1-ethyl-1-[1-(4-fluorophenyl)ethyl]urea.
What is the SMILES notation for 3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-1-ethyl-1-[1-(4-fluorophenyl)ethyl]urea?
The canonical SMILES for 3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-1-ethyl-1-[1-(4-fluorophenyl)ethyl]urea is CCN(C(=O)NCCC(=O)N1CC(C)OC(C)C1)C(C)c1ccc(F)cc1.
What is the InChIKey of 3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-1-ethyl-1-[1-(4-fluorophenyl)ethyl]urea?
The InChIKey is FVZDMJVUQOXYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O3/c1-5-24(16(4)17-6-8-18(21)9-7-17)20(26)22-11-10-19(25)23-12-14(2)27-15(3)13-23/h6-9,14-16H,5,10-13H2,1-4H3,(H,22,26).
What are the key properties of 3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-1-ethyl-1-[1-(4-fluorophenyl)ethyl]urea?
3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-1-ethyl-1-[1-(4-fluorophenyl)ethyl]urea has a molecular weight of 379.48 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-1-ethyl-1-[1-(4-fluorophenyl)ethyl]urea is sourced from PubChem (CID 47066740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).