(naphthalen-1-ylamino)methyl 1-benzofuran-6-carboxylate

C20H15NO3 — CID 175007039

IUPAC(naphthalen-1-ylamino)methyl 1-benzofuran-6-carboxylate
SMILESO=C(OCNc1cccc2ccccc12)c1ccc2ccoc2c1
InChIInChI=1S/C20H15NO3/c22-20(16-9-8-15-10-11-23-19(15)12-16)24-13-21-18-7-3-5-14-4-1-2-6-17(14)18/h1-12,21H,13H2
InChIKeyPVWYBLSDPJQLQP-UHFFFAOYSA-N
MW317.34 g/mol
LogP4.81
Rot. Bonds4

About (naphthalen-1-ylamino)methyl 1-benzofuran-6-carboxylate

(naphthalen-1-ylamino)methyl 1-benzofuran-6-carboxylate (PubChem CID 175007039) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is (naphthalen-1-ylamino)methyl 1-benzofuran-6-carboxylate.

Molecular Properties

Compound Name(naphthalen-1-ylamino)methyl 1-benzofuran-6-carboxylate
PubChem CID175007039
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name(naphthalen-1-ylamino)methyl 1-benzofuran-6-carboxylate
SMILESO=C(OCNc1cccc2ccccc12)c1ccc2ccoc2c1
InChIInChI=1S/C20H15NO3/c22-20(16-9-8-15-10-11-23-19(15)12-16)24-13-21-18-7-3-5-14-4-1-2-6-17(14)18/h1-12,21H,13H2
InChIKeyPVWYBLSDPJQLQP-UHFFFAOYSA-N
XLogP4.81
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23887588
4-[(naphthalen-1-ylamino)methyl]benzamide
CID 25344267
3-[(naphthalen-1-ylamino)methyl]furan-2-carboxylic acid
CID 103231526
[3-[5-(1-benzofuran-6-carbonyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-oxopropyl]urea
CID 167765602
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-carbamoylbenzoate
CID 30799825
bis(1-benzofuran);naphthalen-1-ol
CID 175560201
[2-(naphthalen-1-ylamino)-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 9386534
1-(1-benzofuran-6-yl)-2-(fluoromethylamino)-4-hydroxybutan-1-one
CID 168925906
[2-(naphthalen-1-ylamino)-2-oxoethyl] 4-chlorobenzoate
CID 2629383
1-(1-benzofuran-6-yl)-3-chloro-2-(methylamino)propan-1-one
CID 166892590
1-(1-benzofuran-6-yl)-2-(ethylamino)butan-1-one
CID 166892629
dimethyl 2-(naphthalen-1-ylcarbamoylamino)benzene-1,4-dicarboxylate
CID 108884661

Frequently Asked Questions

What is the IUPAC name of (naphthalen-1-ylamino)methyl 1-benzofuran-6-carboxylate?
The IUPAC name of (naphthalen-1-ylamino)methyl 1-benzofuran-6-carboxylate (CID 175007039) is (naphthalen-1-ylamino)methyl 1-benzofuran-6-carboxylate.
What is the SMILES notation for (naphthalen-1-ylamino)methyl 1-benzofuran-6-carboxylate?
The canonical SMILES for (naphthalen-1-ylamino)methyl 1-benzofuran-6-carboxylate is O=C(OCNc1cccc2ccccc12)c1ccc2ccoc2c1.
What is the InChIKey of (naphthalen-1-ylamino)methyl 1-benzofuran-6-carboxylate?
The InChIKey is PVWYBLSDPJQLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3/c22-20(16-9-8-15-10-11-23-19(15)12-16)24-13-21-18-7-3-5-14-4-1-2-6-17(14)18/h1-12,21H,13H2.
What are the key properties of (naphthalen-1-ylamino)methyl 1-benzofuran-6-carboxylate?
(naphthalen-1-ylamino)methyl 1-benzofuran-6-carboxylate has a molecular weight of 317.34 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (naphthalen-1-ylamino)methyl 1-benzofuran-6-carboxylate is sourced from PubChem (CID 175007039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).