1-(2-methylprop-1-enyl)-3-(2-morpholin-4-ylethyl)urea

C11H21N3O2 — CID 108909881

IUPAC1-(2-methylprop-1-enyl)-3-(2-morpholin-4-ylethyl)urea
SMILESCC(C)=CNC(=O)NCCN1CCOCC1
InChIInChI=1S/C11H21N3O2/c1-10(2)9-13-11(15)12-3-4-14-5-7-16-8-6-14/h9H,3-8H2,1-2H3,(H2,12,13,15)
InChIKeySMAHJPXLFRJEGH-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.54
Rot. Bonds4

About 1-(2-methylprop-1-enyl)-3-(2-morpholin-4-ylethyl)urea

1-(2-methylprop-1-enyl)-3-(2-morpholin-4-ylethyl)urea (PubChem CID 108909881) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(2-methylprop-1-enyl)-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(2-methylprop-1-enyl)-3-(2-morpholin-4-ylethyl)urea
PubChem CID108909881
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-(2-methylprop-1-enyl)-3-(2-morpholin-4-ylethyl)urea
SMILESCC(C)=CNC(=O)NCCN1CCOCC1
InChIInChI=1S/C11H21N3O2/c1-10(2)9-13-11(15)12-3-4-14-5-7-16-8-6-14/h9H,3-8H2,1-2H3,(H2,12,13,15)
InChIKeySMAHJPXLFRJEGH-UHFFFAOYSA-N
XLogP0.54
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Methylbut-2-enyl)-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 99830702
1-(2,2-Dimethylpropyl)-3-(2-morpholin-4-ylethyl)urea
CID 21030113
1-Tert-butyl-3-(2-morpholin-4-ylethyl)urea
CID 58930465
N-(1-amino-2-methylpropan-2-yl)morpholine-4-carboxamide
CID 70498882
4-methyl-N-(2-propoxyethyl)piperazine-1-carboxamide
CID 143084647
(Z)-2-methyl-N-(1-morpholin-4-ylethyl)but-1-en-1-amine
CID 144175208
(2R,6R)-2,6-dimethyl-N-(2-methylprop-2-enyl)morpholine-4-carboxamide
CID 170021221
N-methyl-N'-(2-methyl-1-morpholin-4-ylprop-1-enyl)-N'-prop-1-en-2-ylethane-1,2-diamine
CID 172300207
N-(2-aminoethyl)-3,3-dimethylmorpholine-4-carboxamide
CID 82506226
N-(3-methylbut-2-enyl)morpholine-4-carboxamide
CID 103520441
1-Ethenyl-3-(2-morpholin-4-ylethyl)urea
CID 108909144
N-[(E)-prop-1-enyl]morpholine-4-carboxamide
CID 108909460

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-1-enyl)-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(2-methylprop-1-enyl)-3-(2-morpholin-4-ylethyl)urea (CID 108909881) is 1-(2-methylprop-1-enyl)-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(2-methylprop-1-enyl)-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(2-methylprop-1-enyl)-3-(2-morpholin-4-ylethyl)urea is CC(C)=CNC(=O)NCCN1CCOCC1.
What is the InChIKey of 1-(2-methylprop-1-enyl)-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is SMAHJPXLFRJEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-10(2)9-13-11(15)12-3-4-14-5-7-16-8-6-14/h9H,3-8H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-(2-methylprop-1-enyl)-3-(2-morpholin-4-ylethyl)urea?
1-(2-methylprop-1-enyl)-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 227.31 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-1-enyl)-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 108909881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).