1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea

C13H25N3O2 — CID 108911004

IUPAC1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea
SMILESCC(C)/C=C/NC(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H25N3O2/c1-12(2)4-6-15-13(17)14-5-3-7-16-8-10-18-11-9-16/h4,6,12H,3,5,7-11H2,1-2H3,(H2,14,15,17)/b6-4+
InChIKeyFAJRCBUEWYHESX-GQCTYLIASA-N
MW255.36 g/mol
LogP1.18
Rot. Bonds6

About 1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea

1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea (PubChem CID 108911004) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea.

Molecular Properties

Compound Name1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea
PubChem CID108911004
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea
SMILESCC(C)/C=C/NC(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H25N3O2/c1-12(2)4-6-15-13(17)14-5-3-7-16-8-10-18-11-9-16/h4,6,12H,3,5,7-11H2,1-2H3,(H2,14,15,17)/b6-4+
InChIKeyFAJRCBUEWYHESX-GQCTYLIASA-N
XLogP1.18
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethenyl-3-(3-morpholin-4-ylpropyl)urea
CID 108909151
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
1-[(E)-2-(4-methylphenyl)ethenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108907300
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride
CID 119827262
(2S)-3-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)butanoic acid
CID 7529272
(2S,3S)-3-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid
CID 61196351
(2R)-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid
CID 107566142
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
methyl 4-methyl-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoate
CID 5027932
6-(3-morpholin-4-ylpropylcarbamoylamino)hexanoic acid
CID 61194288
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
(E)-N-(3-morpholin-4-ylpropyl)but-2-en-2-amine
CID 156564164

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea?
The IUPAC name of 1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea (CID 108911004) is 1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea.
What is the SMILES notation for 1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea?
The canonical SMILES for 1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea is CC(C)/C=C/NC(=O)NCCCN1CCOCC1.
What is the InChIKey of 1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea?
The InChIKey is FAJRCBUEWYHESX-GQCTYLIASA-N. The full InChI is InChI=1S/C13H25N3O2/c1-12(2)4-6-15-13(17)14-5-3-7-16-8-10-18-11-9-16/h4,6,12H,3,5,7-11H2,1-2H3,(H2,14,15,17)/b6-4+.
What are the key properties of 1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea?
1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea has a molecular weight of 255.36 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-methylbut-1-enyl]-3-(3-morpholin-4-ylpropyl)urea is sourced from PubChem (CID 108911004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).