1-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)urea

C24H40N4O2 — CID 51119015

IUPAC1-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)urea
SMILESCCC(CC)C(CNC(=O)Nc1ccccc1N1CC(C)OC(C)C1)N1CCCC1
InChIInChI=1S/C24H40N4O2/c1-5-20(6-2)23(27-13-9-10-14-27)15-25-24(29)26-21-11-7-8-12-22(21)28-16-18(3)30-19(4)17-28/h7-8,11-12,18-20,23H,5-6,9-10,13-17H2,1-4H3,(H2,25,26,29)
InChIKeyVEGQMDIGUADHKZ-UHFFFAOYSA-N
MW416.61 g/mol
LogP4.32
Rot. Bonds8

About 1-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)urea

1-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)urea (PubChem CID 51119015) has the molecular formula C24H40N4O2 and a molecular weight of 416.61 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)urea.

Molecular Properties

Compound Name1-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)urea
PubChem CID51119015
Molecular FormulaC24H40N4O2
Molecular Weight416.61 g/mol
Exact Mass416.32
IUPAC Name1-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)urea
SMILESCCC(CC)C(CNC(=O)Nc1ccccc1N1CC(C)OC(C)C1)N1CCCC1
InChIInChI=1S/C24H40N4O2/c1-5-20(6-2)23(27-13-9-10-14-27)15-25-24(29)26-21-11-7-8-12-22(21)28-16-18(3)30-19(4)17-28/h7-8,11-12,18-20,23H,5-6,9-10,13-17H2,1-4H3,(H2,25,26,29)
InChIKeyVEGQMDIGUADHKZ-UHFFFAOYSA-N
XLogP4.32
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea
CID 94154582
1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea
CID 51085659
N'-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-[(2R)-2-hydroxypropyl]oxamide
CID 94444100
1-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-methoxypropyl)urea
CID 51085655
1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(4-hydroxyphenyl)urea
CID 124618726
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-methoxyphenyl)urea
CID 24665000
1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]urea
CID 98723402
1-[(2R)-3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]urea
CID 98800991
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2-ethylsulfonylacetamide
CID 94469385
1-[(2S)-3-ethyl-2-pyrrolidin-1-ylpentyl]-3-[[2-(methoxymethyl)phenyl]methyl]urea
CID 95637979
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 124729841
N-[3-[(3-ethyl-2-pyrrolidin-1-ylpentyl)carbamoylamino]-4-fluorophenyl]acetamide
CID 47033519

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)urea?
The IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)urea (CID 51119015) is 1-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)urea.
What is the SMILES notation for 1-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)urea?
The canonical SMILES for 1-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)urea is CCC(CC)C(CNC(=O)Nc1ccccc1N1CC(C)OC(C)C1)N1CCCC1.
What is the InChIKey of 1-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)urea?
The InChIKey is VEGQMDIGUADHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O2/c1-5-20(6-2)23(27-13-9-10-14-27)15-25-24(29)26-21-11-7-8-12-22(21)28-16-18(3)30-19(4)17-28/h7-8,11-12,18-20,23H,5-6,9-10,13-17H2,1-4H3,(H2,25,26,29).
What are the key properties of 1-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)urea?
1-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)urea has a molecular weight of 416.61 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(3-ethyl-2-pyrrolidin-1-ylpentyl)urea is sourced from PubChem (CID 51119015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).