1-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]-3-propan-2-ylurea

C13H21N3O4 — CID 139933634

IUPAC1-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1=C(CN2CCOCC2)C(=O)OC1
InChIInChI=1S/C13H21N3O4/c1-9(2)14-13(18)15-11-8-20-12(17)10(11)7-16-3-5-19-6-4-16/h9H,3-8H2,1-2H3,(H2,14,15,18)
InChIKeyARAXKZNLRRRSFM-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.16
Rot. Bonds4

About 1-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]-3-propan-2-ylurea

1-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]-3-propan-2-ylurea (PubChem CID 139933634) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]-3-propan-2-ylurea
PubChem CID139933634
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name1-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1=C(CN2CCOCC2)C(=O)OC1
InChIInChI=1S/C13H21N3O4/c1-9(2)14-13(18)15-11-8-20-12(17)10(11)7-16-3-5-19-6-4-16/h9H,3-8H2,1-2H3,(H2,14,15,18)
InChIKeyARAXKZNLRRRSFM-UHFFFAOYSA-N
XLogP-0.16
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-3-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]urea
CID 139933583
1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea
CID 47173524
4-(2-morpholin-4-ylethyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 113073717
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 55833777
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119830551
1-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-3-propan-2-ylurea
CID 50791995
1-(1-morpholin-4-yl-1-oxopropan-2-yl)-3-propan-2-ylurea
CID 115620431
3-methyl-2-[[4-(morpholin-4-ylmethyl)phenyl]carbamoylamino]pentanoic acid
CID 4870797
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412
1-methyl-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea
CID 110752196
2-amino-N-[2-(morpholin-4-ylmethyl)phenyl]propanamide;dihydrochloride
CID 119859628
1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
CID 47173590

Frequently Asked Questions

What is the IUPAC name of 1-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]-3-propan-2-ylurea (CID 139933634) is 1-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]-3-propan-2-ylurea is CC(C)NC(=O)NC1=C(CN2CCOCC2)C(=O)OC1.
What is the InChIKey of 1-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]-3-propan-2-ylurea?
The InChIKey is ARAXKZNLRRRSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-9(2)14-13(18)15-11-8-20-12(17)10(11)7-16-3-5-19-6-4-16/h9H,3-8H2,1-2H3,(H2,14,15,18).
What are the key properties of 1-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]-3-propan-2-ylurea?
1-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]-3-propan-2-ylurea has a molecular weight of 283.33 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(morpholin-4-ylmethyl)-5-oxo-2H-furan-3-yl]-3-propan-2-ylurea is sourced from PubChem (CID 139933634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).