N-[4-[5-(phenylcarbamoylamino)naphthalen-1-yl]oxyphenyl]acetamide

C25H21N3O3 — CID 162653939

IUPACN-[4-[5-(phenylcarbamoylamino)naphthalen-1-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2cccc3c(NC(=O)Nc4ccccc4)cccc23)cc1
InChIInChI=1S/C25H21N3O3/c1-17(29)26-19-13-15-20(16-14-19)31-24-12-6-9-21-22(24)10-5-11-23(21)28-25(30)27-18-7-3-2-4-8-18/h2-16H,1H3,(H,26,29)(H2,27,28,30)
InChIKeyGKQRUHQWGMCIKL-UHFFFAOYSA-N
MW411.46 g/mol
LogP6.23
Rot. Bonds5

About N-[4-[5-(phenylcarbamoylamino)naphthalen-1-yl]oxyphenyl]acetamide

N-[4-[5-(phenylcarbamoylamino)naphthalen-1-yl]oxyphenyl]acetamide (PubChem CID 162653939) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[4-[5-(phenylcarbamoylamino)naphthalen-1-yl]oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(phenylcarbamoylamino)naphthalen-1-yl]oxyphenyl]acetamide
PubChem CID162653939
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN-[4-[5-(phenylcarbamoylamino)naphthalen-1-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2cccc3c(NC(=O)Nc4ccccc4)cccc23)cc1
InChIInChI=1S/C25H21N3O3/c1-17(29)26-19-13-15-20(16-14-19)31-24-12-6-9-21-22(24)10-5-11-23(21)28-25(30)27-18-7-3-2-4-8-18/h2-16H,1H3,(H,26,29)(H2,27,28,30)
InChIKeyGKQRUHQWGMCIKL-UHFFFAOYSA-N
XLogP6.23
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_B(4)', 'substructure': 'N/A'}

Analyze N-[4-[5-(phenylcarbamoylamino)naphthalen-1-yl]oxyphenyl]acetamide 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 N-[4-[5-(phenylcarbamoylamino)naphthalen-1-yl]oxyphenyl]acetamide?
The IUPAC name of N-[4-[5-(phenylcarbamoylamino)naphthalen-1-yl]oxyphenyl]acetamide (CID 162653939) is N-[4-[5-(phenylcarbamoylamino)naphthalen-1-yl]oxyphenyl]acetamide.
What is the SMILES notation for N-[4-[5-(phenylcarbamoylamino)naphthalen-1-yl]oxyphenyl]acetamide?
The canonical SMILES for N-[4-[5-(phenylcarbamoylamino)naphthalen-1-yl]oxyphenyl]acetamide is CC(=O)Nc1ccc(Oc2cccc3c(NC(=O)Nc4ccccc4)cccc23)cc1.
What is the InChIKey of N-[4-[5-(phenylcarbamoylamino)naphthalen-1-yl]oxyphenyl]acetamide?
The InChIKey is GKQRUHQWGMCIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-17(29)26-19-13-15-20(16-14-19)31-24-12-6-9-21-22(24)10-5-11-23(21)28-25(30)27-18-7-3-2-4-8-18/h2-16H,1H3,(H,26,29)(H2,27,28,30).
What are the key properties of N-[4-[5-(phenylcarbamoylamino)naphthalen-1-yl]oxyphenyl]acetamide?
N-[4-[5-(phenylcarbamoylamino)naphthalen-1-yl]oxyphenyl]acetamide has a molecular weight of 411.46 g/mol, XLogP of 6.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(phenylcarbamoylamino)naphthalen-1-yl]oxyphenyl]acetamide is sourced from PubChem (CID 162653939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).