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

C12H23N3O2 — CID 108909888

IUPAC1-(2-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)urea
SMILESCC(C)=CNC(=O)NCCCN1CCOCC1
InChIInChI=1S/C12H23N3O2/c1-11(2)10-14-12(16)13-4-3-5-15-6-8-17-9-7-15/h10H,3-9H2,1-2H3,(H2,13,14,16)
InChIKeyLKQBWZPIZVGTOH-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.93
Rot. Bonds5

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

1-(2-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)urea (PubChem CID 108909888) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(2-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-(2-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)urea
PubChem CID108909888
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-(2-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)urea
SMILESCC(C)=CNC(=O)NCCCN1CCOCC1
InChIInChI=1S/C12H23N3O2/c1-11(2)10-14-12(16)13-4-3-5-15-6-8-17-9-7-15/h10H,3-9H2,1-2H3,(H2,13,14,16)
InChIKeyLKQBWZPIZVGTOH-UHFFFAOYSA-N
XLogP0.93
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Tert-butyl-3-(3-morpholin-4-ylpropyl)urea
CID 304916
N-[3-(dimethylamino)propyl]morpholine-4-carboxamide
CID 3255795
1,1-Dimethyl-3-(3-morpholin-4-ylpropyl)urea
CID 3534691
1-Ethyl-3-[3-(4-methylmorpholin-4-ium-4-yl)propyl]urea
CID 58599056
1-Methyl-3-(3-morpholin-4-ylpropyl)urea
CID 59006561
(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-[3-(diethylamino)propyl]morpholine-4-carboxamide
CID 3410818
1-Tert-butyl-3-(3-morpholin-4-ium-4-ylpropyl)urea
CID 6995052
N-[3-(ethylamino)propyl]morpholine-4-carboxamide
CID 79152332
N-[3-(methylamino)propyl]morpholine-4-carboxamide
CID 79154888
N-(3-amino-2-methylpropyl)morpholine-4-carboxamide
CID 79156022

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-(2-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)urea (CID 108909888) is 1-(2-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-(2-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-(2-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)urea is CC(C)=CNC(=O)NCCCN1CCOCC1.
What is the InChIKey of 1-(2-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)urea?
The InChIKey is LKQBWZPIZVGTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-11(2)10-14-12(16)13-4-3-5-15-6-8-17-9-7-15/h10H,3-9H2,1-2H3,(H2,13,14,16).
What are the key properties of 1-(2-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)urea?
1-(2-methylprop-1-enyl)-3-(3-morpholin-4-ylpropyl)urea has a molecular weight of 241.33 g/mol, XLogP of 0.93, 5 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-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 108909888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).