[3-(ethoxycarbonylamino)naphthalen-2-yl] benzoate

C20H17NO4 — CID 134520010

IUPAC[3-(ethoxycarbonylamino)naphthalen-2-yl] benzoate
SMILESCCOC(=O)Nc1cc2ccccc2cc1OC(=O)c1ccccc1
InChIInChI=1S/C20H17NO4/c1-2-24-20(23)21-17-12-15-10-6-7-11-16(15)13-18(17)25-19(22)14-8-4-3-5-9-14/h3-13H,2H2,1H3,(H,21,23)
InChIKeyOSIJKBBMARKPMT-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.63
Rot. Bonds4

About [3-(ethoxycarbonylamino)naphthalen-2-yl] benzoate

[3-(ethoxycarbonylamino)naphthalen-2-yl] benzoate (PubChem CID 134520010) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is [3-(ethoxycarbonylamino)naphthalen-2-yl] benzoate.

Molecular Properties

Compound Name[3-(ethoxycarbonylamino)naphthalen-2-yl] benzoate
PubChem CID134520010
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name[3-(ethoxycarbonylamino)naphthalen-2-yl] benzoate
SMILESCCOC(=O)Nc1cc2ccccc2cc1OC(=O)c1ccccc1
InChIInChI=1S/C20H17NO4/c1-2-24-20(23)21-17-12-15-10-6-7-11-16(15)13-18(17)25-19(22)14-8-4-3-5-9-14/h3-13H,2H2,1H3,(H,21,23)
InChIKeyOSIJKBBMARKPMT-UHFFFAOYSA-N
XLogP4.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxycarbonylphenyl) 3-(ethoxycarbonylamino)benzoate
CID 26689674
CID 158970570
CID 158970570
ethyl N-(5-acetyl-2-phenylmethoxyphenyl)carbamate
CID 21435529
ethyl N-(2-anilinophenyl)carbamate
CID 12930175
ethyl N-(5-ethyl-2-methylphenyl)carbamate
CID 110604053
ethyl N-[2-(3-oxo-3-phenylprop-1-enyl)phenyl]carbamate
CID 123146032
[2-(ethoxycarbonylamino)-2-oxoethyl] benzoate
CID 2516974
(5-benzoyloxy-4-ethyl-2-methylphenyl) benzoate
CID 58788729
[3-(naphthalene-2-carbonylamino)naphthalen-2-yl] butanoate
CID 127258556
3-amino-4-(ethoxycarbonylamino)benzoic acid
CID 63117054
methyl 3-(ethoxycarbonylamino)-4-methylbenzoate
CID 3309818
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048

Frequently Asked Questions

What is the IUPAC name of [3-(ethoxycarbonylamino)naphthalen-2-yl] benzoate?
The IUPAC name of [3-(ethoxycarbonylamino)naphthalen-2-yl] benzoate (CID 134520010) is [3-(ethoxycarbonylamino)naphthalen-2-yl] benzoate.
What is the SMILES notation for [3-(ethoxycarbonylamino)naphthalen-2-yl] benzoate?
The canonical SMILES for [3-(ethoxycarbonylamino)naphthalen-2-yl] benzoate is CCOC(=O)Nc1cc2ccccc2cc1OC(=O)c1ccccc1.
What is the InChIKey of [3-(ethoxycarbonylamino)naphthalen-2-yl] benzoate?
The InChIKey is OSIJKBBMARKPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-2-24-20(23)21-17-12-15-10-6-7-11-16(15)13-18(17)25-19(22)14-8-4-3-5-9-14/h3-13H,2H2,1H3,(H,21,23).
What are the key properties of [3-(ethoxycarbonylamino)naphthalen-2-yl] benzoate?
[3-(ethoxycarbonylamino)naphthalen-2-yl] benzoate has a molecular weight of 335.36 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxycarbonylamino)naphthalen-2-yl] benzoate is sourced from PubChem (CID 134520010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).