phenyl N-[2-decoxy-5-(phenoxycarbonylamino)phenyl]carbamate

C30H36N2O5 — CID 70188425

IUPACphenyl N-[2-decoxy-5-(phenoxycarbonylamino)phenyl]carbamate
SMILESCCCCCCCCCCOc1ccc(NC(=O)Oc2ccccc2)cc1NC(=O)Oc1ccccc1
InChIInChI=1S/C30H36N2O5/c1-2-3-4-5-6-7-8-15-22-35-28-21-20-24(31-29(33)36-25-16-11-9-12-17-25)23-27(28)32-30(34)37-26-18-13-10-14-19-26/h9-14,16-21,23H,2-8,15,22H2,1H3,(H,31,33)(H,32,34)
InChIKeySBCVIUNMUOQAQA-UHFFFAOYSA-N
MW504.63 g/mol
LogP8.43
Rot. Bonds14

About phenyl N-[2-decoxy-5-(phenoxycarbonylamino)phenyl]carbamate

phenyl N-[2-decoxy-5-(phenoxycarbonylamino)phenyl]carbamate (PubChem CID 70188425) has the molecular formula C30H36N2O5 and a molecular weight of 504.63 g/mol. Its IUPAC name is phenyl N-[2-decoxy-5-(phenoxycarbonylamino)phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-decoxy-5-(phenoxycarbonylamino)phenyl]carbamate
PubChem CID70188425
Molecular FormulaC30H36N2O5
Molecular Weight504.63 g/mol
Exact Mass504.26
IUPAC Namephenyl N-[2-decoxy-5-(phenoxycarbonylamino)phenyl]carbamate
SMILESCCCCCCCCCCOc1ccc(NC(=O)Oc2ccccc2)cc1NC(=O)Oc1ccccc1
InChIInChI=1S/C30H36N2O5/c1-2-3-4-5-6-7-8-15-22-35-28-21-20-24(31-29(33)36-25-16-11-9-12-17-25)23-27(28)32-30(34)37-26-18-13-10-14-19-26/h9-14,16-21,23H,2-8,15,22H2,1H3,(H,31,33)(H,32,34)
InChIKeySBCVIUNMUOQAQA-UHFFFAOYSA-N
XLogP8.43
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 58.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 phenyl N-[2-decoxy-5-(phenoxycarbonylamino)phenyl]carbamate?
The IUPAC name of phenyl N-[2-decoxy-5-(phenoxycarbonylamino)phenyl]carbamate (CID 70188425) is phenyl N-[2-decoxy-5-(phenoxycarbonylamino)phenyl]carbamate.
What is the SMILES notation for phenyl N-[2-decoxy-5-(phenoxycarbonylamino)phenyl]carbamate?
The canonical SMILES for phenyl N-[2-decoxy-5-(phenoxycarbonylamino)phenyl]carbamate is CCCCCCCCCCOc1ccc(NC(=O)Oc2ccccc2)cc1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-decoxy-5-(phenoxycarbonylamino)phenyl]carbamate?
The InChIKey is SBCVIUNMUOQAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O5/c1-2-3-4-5-6-7-8-15-22-35-28-21-20-24(31-29(33)36-25-16-11-9-12-17-25)23-27(28)32-30(34)37-26-18-13-10-14-19-26/h9-14,16-21,23H,2-8,15,22H2,1H3,(H,31,33)(H,32,34).
What are the key properties of phenyl N-[2-decoxy-5-(phenoxycarbonylamino)phenyl]carbamate?
phenyl N-[2-decoxy-5-(phenoxycarbonylamino)phenyl]carbamate has a molecular weight of 504.63 g/mol, XLogP of 8.43, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-decoxy-5-(phenoxycarbonylamino)phenyl]carbamate is sourced from PubChem (CID 70188425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).