1-methyl-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea

C11H23N3O2 — CID 110752196

IUPAC1-methyl-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C)CCN1CCOCC1
InChIInChI=1S/C11H23N3O2/c1-10(2)12-11(15)13(3)4-5-14-6-8-16-9-7-14/h10H,4-9H2,1-3H3,(H,12,15)
InChIKeyBRRIZDSUJDVDCA-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.37
Rot. Bonds4

About 1-methyl-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea

1-methyl-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea (PubChem CID 110752196) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-methyl-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-methyl-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea
PubChem CID110752196
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name1-methyl-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C)CCN1CCOCC1
InChIInChI=1S/C11H23N3O2/c1-10(2)12-11(15)13(3)4-5-14-6-8-16-9-7-14/h10H,4-9H2,1-3H3,(H,12,15)
InChIKeyBRRIZDSUJDVDCA-UHFFFAOYSA-N
XLogP0.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 22954090
2-amino-N-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 83534311
2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 63209066
4-(2-morpholin-4-ylethyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 113073717
3-[methyl(2-morpholin-4-ylethyl)amino]propanoic acid
CID 60987134
ethyl (2R)-2-[methyl(2-morpholin-4-ylethyl)amino]propanoate
CID 95623746
2-(3-morpholin-4-ylpropylamino)-N-propan-2-ylpropanamide
CID 43236665
(2R)-5-amino-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830862
1-acetyl-N-methyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 110752371
N-[2-[acetyl(2-morpholin-4-ylethyl)amino]ethyl]-3-methylbutanamide
CID 113053643
methyl 2-[ethyl(2-morpholin-4-ylethyl)amino]acetate
CID 55207196
3-[methyl(3-morpholin-4-ylpropyl)amino]propanoic acid
CID 82328722

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea?
The IUPAC name of 1-methyl-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea (CID 110752196) is 1-methyl-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-methyl-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea?
The canonical SMILES for 1-methyl-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea is CC(C)NC(=O)N(C)CCN1CCOCC1.
What is the InChIKey of 1-methyl-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea?
The InChIKey is BRRIZDSUJDVDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-10(2)12-11(15)13(3)4-5-14-6-8-16-9-7-14/h10H,4-9H2,1-3H3,(H,12,15).
What are the key properties of 1-methyl-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea?
1-methyl-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea has a molecular weight of 229.32 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea is sourced from PubChem (CID 110752196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).