1-propyl-3-tridecylurea

C17H36N2O — CID 10934987

IUPAC1-propyl-3-tridecylurea
SMILESCCCCCCCCCCCCCNC(=O)NCCC
InChIInChI=1S/C17H36N2O/c1-3-5-6-7-8-9-10-11-12-13-14-16-19-17(20)18-15-4-2/h3-16H2,1-2H3,(H2,18,19,20)
InChIKeyKTCDRXGQMBORFA-UHFFFAOYSA-N
MW284.49 g/mol
LogP5.01
Rot. Bonds14

About 1-propyl-3-tridecylurea

1-propyl-3-tridecylurea (PubChem CID 10934987) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-propyl-3-tridecylurea.

Molecular Properties

Compound Name1-propyl-3-tridecylurea
PubChem CID10934987
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name1-propyl-3-tridecylurea
SMILESCCCCCCCCCCCCCNC(=O)NCCC
InChIInChI=1S/C17H36N2O/c1-3-5-6-7-8-9-10-11-12-13-14-16-19-17(20)18-15-4-2/h3-16H2,1-2H3,(H2,18,19,20)
InChIKeyKTCDRXGQMBORFA-UHFFFAOYSA-N
XLogP5.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-propyl-3-tridecylurea 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-butyl-3-octylurea
CID 17269600
1-octadec-9-enyl-3-propylurea
CID 85374995
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
1-hexadecyl-3-(4-hydroxybutyl)urea
CID 170630543
1-(4-aminobutyl)-3-[4-(hexadecylcarbamoylamino)butyl]urea
CID 101384576
1-(3-aminopropyl)-3-octadecylurea
CID 54170703
1-hexyl-3-hydroxyurea
CID 57210959
1-methyl-3-nonylurea
CID 91937244
6-(octylcarbamoylamino)hexanamide
CID 11833003
2-(heptylcarbamoylamino)acetic acid
CID 43129060
1-[(Z)-octadec-9-enyl]-3-[6-[[(Z)-octadec-9-enyl]carbamoylamino]hexyl]urea
CID 159541193
1-butyl-3-octylurea;fluoroboronic acid
CID 19004852

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-tridecylurea?
The IUPAC name of 1-propyl-3-tridecylurea (CID 10934987) is 1-propyl-3-tridecylurea.
What is the SMILES notation for 1-propyl-3-tridecylurea?
The canonical SMILES for 1-propyl-3-tridecylurea is CCCCCCCCCCCCCNC(=O)NCCC.
What is the InChIKey of 1-propyl-3-tridecylurea?
The InChIKey is KTCDRXGQMBORFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-3-5-6-7-8-9-10-11-12-13-14-16-19-17(20)18-15-4-2/h3-16H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-propyl-3-tridecylurea?
1-propyl-3-tridecylurea has a molecular weight of 284.49 g/mol, XLogP of 5.01, 14 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-tridecylurea is sourced from PubChem (CID 10934987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).