1-phenyl-3-[6-(phenylcarbamoylamino)hexyl]urea

C20H26N4O2 — CID 3384605

IUPAC1-phenyl-3-[6-(phenylcarbamoylamino)hexyl]urea
SMILESO=C(NCCCCCCNC(=O)Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C20H26N4O2/c25-19(23-17-11-5-3-6-12-17)21-15-9-1-2-10-16-22-20(26)24-18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2,(H2,21,23,25)(H2,22,24,26)
InChIKeyURUCLTKPYLOMGJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.19
Rot. Bonds9

About 1-phenyl-3-[6-(phenylcarbamoylamino)hexyl]urea

1-phenyl-3-[6-(phenylcarbamoylamino)hexyl]urea (PubChem CID 3384605) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-phenyl-3-[6-(phenylcarbamoylamino)hexyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[6-(phenylcarbamoylamino)hexyl]urea
PubChem CID3384605
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-phenyl-3-[6-(phenylcarbamoylamino)hexyl]urea
SMILESO=C(NCCCCCCNC(=O)Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C20H26N4O2/c25-19(23-17-11-5-3-6-12-17)21-15-9-1-2-10-16-22-20(26)24-18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2,(H2,21,23,25)(H2,22,24,26)
InChIKeyURUCLTKPYLOMGJ-UHFFFAOYSA-N
XLogP4.19
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[6-(phenylcarbamoylamino)hexyl]urea?
The IUPAC name of 1-phenyl-3-[6-(phenylcarbamoylamino)hexyl]urea (CID 3384605) is 1-phenyl-3-[6-(phenylcarbamoylamino)hexyl]urea.
What is the SMILES notation for 1-phenyl-3-[6-(phenylcarbamoylamino)hexyl]urea?
The canonical SMILES for 1-phenyl-3-[6-(phenylcarbamoylamino)hexyl]urea is O=C(NCCCCCCNC(=O)Nc1ccccc1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[6-(phenylcarbamoylamino)hexyl]urea?
The InChIKey is URUCLTKPYLOMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-19(23-17-11-5-3-6-12-17)21-15-9-1-2-10-16-22-20(26)24-18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2,(H2,21,23,25)(H2,22,24,26).
What are the key properties of 1-phenyl-3-[6-(phenylcarbamoylamino)hexyl]urea?
1-phenyl-3-[6-(phenylcarbamoylamino)hexyl]urea has a molecular weight of 354.45 g/mol, XLogP of 4.19, 9 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[6-(phenylcarbamoylamino)hexyl]urea is sourced from PubChem (CID 3384605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).