[6-(ethoxycarbonylamino)naphthalen-2-yl] acetate

C15H15NO4 — CID 68802695

IUPAC[6-(ethoxycarbonylamino)naphthalen-2-yl] acetate
SMILESCCOC(=O)Nc1ccc2cc(OC(C)=O)ccc2c1
InChIInChI=1S/C15H15NO4/c1-3-19-15(18)16-13-6-4-12-9-14(20-10(2)17)7-5-11(12)8-13/h4-9H,3H2,1-2H3,(H,16,18)
InChIKeyREAMPYPUWSQYKC-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.33
Rot. Bonds3

About [6-(ethoxycarbonylamino)naphthalen-2-yl] acetate

[6-(ethoxycarbonylamino)naphthalen-2-yl] acetate (PubChem CID 68802695) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is [6-(ethoxycarbonylamino)naphthalen-2-yl] acetate.

Molecular Properties

Compound Name[6-(ethoxycarbonylamino)naphthalen-2-yl] acetate
PubChem CID68802695
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name[6-(ethoxycarbonylamino)naphthalen-2-yl] acetate
SMILESCCOC(=O)Nc1ccc2cc(OC(C)=O)ccc2c1
InChIInChI=1S/C15H15NO4/c1-3-19-15(18)16-13-6-4-12-9-14(20-10(2)17)7-5-11(12)8-13/h4-9H,3H2,1-2H3,(H,16,18)
InChIKeyREAMPYPUWSQYKC-UHFFFAOYSA-N
XLogP3.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.33
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

ethyl N-(6-hydroxynaphthalen-2-yl)carbamate
CID 68802648
ethyl N-isoquinolin-6-ylcarbamate
CID 22674074
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl N-(4-methylisoquinolin-6-yl)carbamate
CID 22674159
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
ethyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 64787909
ethyl N-(3-amino-4-fluorophenyl)carbamate
CID 22005857
ethyl N-[4-(methoxymethoxy)phenyl]carbamate
CID 19896200
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
[3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865154

Frequently Asked Questions

What is the IUPAC name of [6-(ethoxycarbonylamino)naphthalen-2-yl] acetate?
The IUPAC name of [6-(ethoxycarbonylamino)naphthalen-2-yl] acetate (CID 68802695) is [6-(ethoxycarbonylamino)naphthalen-2-yl] acetate.
What is the SMILES notation for [6-(ethoxycarbonylamino)naphthalen-2-yl] acetate?
The canonical SMILES for [6-(ethoxycarbonylamino)naphthalen-2-yl] acetate is CCOC(=O)Nc1ccc2cc(OC(C)=O)ccc2c1.
What is the InChIKey of [6-(ethoxycarbonylamino)naphthalen-2-yl] acetate?
The InChIKey is REAMPYPUWSQYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-3-19-15(18)16-13-6-4-12-9-14(20-10(2)17)7-5-11(12)8-13/h4-9H,3H2,1-2H3,(H,16,18).
What are the key properties of [6-(ethoxycarbonylamino)naphthalen-2-yl] acetate?
[6-(ethoxycarbonylamino)naphthalen-2-yl] acetate has a molecular weight of 273.29 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(ethoxycarbonylamino)naphthalen-2-yl] acetate is sourced from PubChem (CID 68802695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).