phenyl N-[6-(phenoxycarbonylamino)hexyl]carbamate

C20H24N2O4 — CID 10981159

IUPACphenyl N-[6-(phenoxycarbonylamino)hexyl]carbamate
SMILESO=C(NCCCCCCNC(=O)Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H24N2O4/c23-19(25-17-11-5-3-6-12-17)21-15-9-1-2-10-16-22-20(24)26-18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2,(H,21,23)(H,22,24)
InChIKeyZIWIWAKGUIFNRP-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.12
Rot. Bonds9

About phenyl N-[6-(phenoxycarbonylamino)hexyl]carbamate

phenyl N-[6-(phenoxycarbonylamino)hexyl]carbamate (PubChem CID 10981159) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is phenyl N-[6-(phenoxycarbonylamino)hexyl]carbamate.

Molecular Properties

Compound Namephenyl N-[6-(phenoxycarbonylamino)hexyl]carbamate
PubChem CID10981159
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Namephenyl N-[6-(phenoxycarbonylamino)hexyl]carbamate
SMILESO=C(NCCCCCCNC(=O)Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H24N2O4/c23-19(25-17-11-5-3-6-12-17)21-15-9-1-2-10-16-22-20(24)26-18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2,(H,21,23)(H,22,24)
InChIKeyZIWIWAKGUIFNRP-UHFFFAOYSA-N
XLogP4.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze phenyl N-[6-(phenoxycarbonylamino)hexyl]carbamate 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 phenyl N-[6-(phenoxycarbonylamino)hexyl]carbamate?
The IUPAC name of phenyl N-[6-(phenoxycarbonylamino)hexyl]carbamate (CID 10981159) is phenyl N-[6-(phenoxycarbonylamino)hexyl]carbamate.
What is the SMILES notation for phenyl N-[6-(phenoxycarbonylamino)hexyl]carbamate?
The canonical SMILES for phenyl N-[6-(phenoxycarbonylamino)hexyl]carbamate is O=C(NCCCCCCNC(=O)Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of phenyl N-[6-(phenoxycarbonylamino)hexyl]carbamate?
The InChIKey is ZIWIWAKGUIFNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c23-19(25-17-11-5-3-6-12-17)21-15-9-1-2-10-16-22-20(24)26-18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2,(H,21,23)(H,22,24).
What are the key properties of phenyl N-[6-(phenoxycarbonylamino)hexyl]carbamate?
phenyl N-[6-(phenoxycarbonylamino)hexyl]carbamate has a molecular weight of 356.42 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[6-(phenoxycarbonylamino)hexyl]carbamate is sourced from PubChem (CID 10981159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).