3-[6-(dipropylcarbamoylamino)hexyl]-1,1-dipropylurea

C20H42N4O2 — CID 3141105

IUPAC3-[6-(dipropylcarbamoylamino)hexyl]-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)NCCCCCCNC(=O)N(CCC)CCC
InChIInChI=1S/C20H42N4O2/c1-5-15-23(16-6-2)19(25)21-13-11-9-10-12-14-22-20(26)24(17-7-3)18-8-4/h5-18H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyNLFNPYUYNBAFKK-UHFFFAOYSA-N
MW370.58 g/mol
LogP4.21
Rot. Bonds15

About 3-[6-(dipropylcarbamoylamino)hexyl]-1,1-dipropylurea

3-[6-(dipropylcarbamoylamino)hexyl]-1,1-dipropylurea (PubChem CID 3141105) has the molecular formula C20H42N4O2 and a molecular weight of 370.58 g/mol. Its IUPAC name is 3-[6-(dipropylcarbamoylamino)hexyl]-1,1-dipropylurea.

Molecular Properties

Compound Name3-[6-(dipropylcarbamoylamino)hexyl]-1,1-dipropylurea
PubChem CID3141105
Molecular FormulaC20H42N4O2
Molecular Weight370.58 g/mol
Exact Mass370.33
IUPAC Name3-[6-(dipropylcarbamoylamino)hexyl]-1,1-dipropylurea
SMILESCCCN(CCC)C(=O)NCCCCCCNC(=O)N(CCC)CCC
InChIInChI=1S/C20H42N4O2/c1-5-15-23(16-6-2)19(25)21-13-11-9-10-12-14-22-20(26)24(17-7-3)18-8-4/h5-18H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyNLFNPYUYNBAFKK-UHFFFAOYSA-N
XLogP4.21
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.58
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[6-(dipropylcarbamoylamino)hexyl]-1,1-dipropylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-(dipropylcarbamoylamino)hexyl]-1,1-dipropylurea?
The IUPAC name of 3-[6-(dipropylcarbamoylamino)hexyl]-1,1-dipropylurea (CID 3141105) is 3-[6-(dipropylcarbamoylamino)hexyl]-1,1-dipropylurea.
What is the SMILES notation for 3-[6-(dipropylcarbamoylamino)hexyl]-1,1-dipropylurea?
The canonical SMILES for 3-[6-(dipropylcarbamoylamino)hexyl]-1,1-dipropylurea is CCCN(CCC)C(=O)NCCCCCCNC(=O)N(CCC)CCC.
What is the InChIKey of 3-[6-(dipropylcarbamoylamino)hexyl]-1,1-dipropylurea?
The InChIKey is NLFNPYUYNBAFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N4O2/c1-5-15-23(16-6-2)19(25)21-13-11-9-10-12-14-22-20(26)24(17-7-3)18-8-4/h5-18H2,1-4H3,(H,21,25)(H,22,26).
What are the key properties of 3-[6-(dipropylcarbamoylamino)hexyl]-1,1-dipropylurea?
3-[6-(dipropylcarbamoylamino)hexyl]-1,1-dipropylurea has a molecular weight of 370.58 g/mol, XLogP of 4.21, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(dipropylcarbamoylamino)hexyl]-1,1-dipropylurea is sourced from PubChem (CID 3141105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).