[3-(3-carbamoylphenyl)phenyl] N-(naphthalen-2-ylmethyl)carbamate

C25H20N2O3 — CID 24881811

IUPAC[3-(3-carbamoylphenyl)phenyl] N-(naphthalen-2-ylmethyl)carbamate
SMILESNC(=O)c1cccc(-c2cccc(OC(=O)NCc3ccc4ccccc4c3)c2)c1
InChIInChI=1S/C25H20N2O3/c26-24(28)22-9-3-7-20(14-22)21-8-4-10-23(15-21)30-25(29)27-16-17-11-12-18-5-1-2-6-19(18)13-17/h1-15H,16H2,(H2,26,28)(H,27,29)
InChIKeyHSPABSYTWRUCGU-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.89
Rot. Bonds5

About [3-(3-carbamoylphenyl)phenyl] N-(naphthalen-2-ylmethyl)carbamate

[3-(3-carbamoylphenyl)phenyl] N-(naphthalen-2-ylmethyl)carbamate (PubChem CID 24881811) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is [3-(3-carbamoylphenyl)phenyl] N-(naphthalen-2-ylmethyl)carbamate.

Molecular Properties

Compound Name[3-(3-carbamoylphenyl)phenyl] N-(naphthalen-2-ylmethyl)carbamate
PubChem CID24881811
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Name[3-(3-carbamoylphenyl)phenyl] N-(naphthalen-2-ylmethyl)carbamate
SMILESNC(=O)c1cccc(-c2cccc(OC(=O)NCc3ccc4ccccc4c3)c2)c1
InChIInChI=1S/C25H20N2O3/c26-24(28)22-9-3-7-20(14-22)21-8-4-10-23(15-21)30-25(29)27-16-17-11-12-18-5-1-2-6-19(18)13-17/h1-15H,16H2,(H2,26,28)(H,27,29)
InChIKeyHSPABSYTWRUCGU-UHFFFAOYSA-N
XLogP4.89
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3-carbamoylphenyl)phenyl] N-(naphthalen-2-ylmethyl)carbamate?
The IUPAC name of [3-(3-carbamoylphenyl)phenyl] N-(naphthalen-2-ylmethyl)carbamate (CID 24881811) is [3-(3-carbamoylphenyl)phenyl] N-(naphthalen-2-ylmethyl)carbamate.
What is the SMILES notation for [3-(3-carbamoylphenyl)phenyl] N-(naphthalen-2-ylmethyl)carbamate?
The canonical SMILES for [3-(3-carbamoylphenyl)phenyl] N-(naphthalen-2-ylmethyl)carbamate is NC(=O)c1cccc(-c2cccc(OC(=O)NCc3ccc4ccccc4c3)c2)c1.
What is the InChIKey of [3-(3-carbamoylphenyl)phenyl] N-(naphthalen-2-ylmethyl)carbamate?
The InChIKey is HSPABSYTWRUCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c26-24(28)22-9-3-7-20(14-22)21-8-4-10-23(15-21)30-25(29)27-16-17-11-12-18-5-1-2-6-19(18)13-17/h1-15H,16H2,(H2,26,28)(H,27,29).
What are the key properties of [3-(3-carbamoylphenyl)phenyl] N-(naphthalen-2-ylmethyl)carbamate?
[3-(3-carbamoylphenyl)phenyl] N-(naphthalen-2-ylmethyl)carbamate has a molecular weight of 396.45 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-carbamoylphenyl)phenyl] N-(naphthalen-2-ylmethyl)carbamate is sourced from PubChem (CID 24881811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).