ethyl 1-amino-7-methoxy-3-phenylnaphthalene-2-carboxylate

C20H19NO3 — CID 102334362

IUPACethyl 1-amino-7-methoxy-3-phenylnaphthalene-2-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)cc2ccc(OC)cc2c1N
InChIInChI=1S/C20H19NO3/c1-3-24-20(22)18-16(13-7-5-4-6-8-13)11-14-9-10-15(23-2)12-17(14)19(18)21/h4-12H,3,21H2,1-2H3
InChIKeyDNDZLCSBVKJWHO-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.27
Rot. Bonds4

About ethyl 1-amino-7-methoxy-3-phenylnaphthalene-2-carboxylate

ethyl 1-amino-7-methoxy-3-phenylnaphthalene-2-carboxylate (PubChem CID 102334362) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is ethyl 1-amino-7-methoxy-3-phenylnaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-7-methoxy-3-phenylnaphthalene-2-carboxylate
PubChem CID102334362
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Nameethyl 1-amino-7-methoxy-3-phenylnaphthalene-2-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)cc2ccc(OC)cc2c1N
InChIInChI=1S/C20H19NO3/c1-3-24-20(22)18-16(13-7-5-4-6-8-13)11-14-9-10-15(23-2)12-17(14)19(18)21/h4-12H,3,21H2,1-2H3
InChIKeyDNDZLCSBVKJWHO-UHFFFAOYSA-N
XLogP4.27
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

beta-NAPHTHYL ANTHRANILATE
CID 62217
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CID 11501164
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CID 155536274
Ethyl 2-[(3-methoxynaphthalen-1-yl)amino]benzoate
CID 155555347
4-amino-9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-3H-benzo[f]isobenzofuran-1-one
CID 156124580
[4-Amino-3-benzoyl-5-(4-methoxyphenyl)-2,6-diphenylphenyl]-phenylmethanone
CID 134924403
3-Amino-6-benzyloxy-7-methoxynaphthalene-2-carboxylic acid tert-butyl ester
CID 10156578
5-Amino-6-(p-methoxybenzoyl)-naphthalene
CID 67495113
Phenyl 1-aminoanthraquinone-2-carboxylate
CID 2835177
(4-Heptylphenyl) 1,4-diamino-9,10-dioxoanthracene-2-carboxylate
CID 54228404
Methyl 2-amino-4-fluoro-5-naphthalen-2-yloxybenzoate
CID 59569192
Methyl 2-amino-5-[4-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]benzoate
CID 122622716

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-7-methoxy-3-phenylnaphthalene-2-carboxylate?
The IUPAC name of ethyl 1-amino-7-methoxy-3-phenylnaphthalene-2-carboxylate (CID 102334362) is ethyl 1-amino-7-methoxy-3-phenylnaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 1-amino-7-methoxy-3-phenylnaphthalene-2-carboxylate?
The canonical SMILES for ethyl 1-amino-7-methoxy-3-phenylnaphthalene-2-carboxylate is CCOC(=O)c1c(-c2ccccc2)cc2ccc(OC)cc2c1N.
What is the InChIKey of ethyl 1-amino-7-methoxy-3-phenylnaphthalene-2-carboxylate?
The InChIKey is DNDZLCSBVKJWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-3-24-20(22)18-16(13-7-5-4-6-8-13)11-14-9-10-15(23-2)12-17(14)19(18)21/h4-12H,3,21H2,1-2H3.
What are the key properties of ethyl 1-amino-7-methoxy-3-phenylnaphthalene-2-carboxylate?
ethyl 1-amino-7-methoxy-3-phenylnaphthalene-2-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-7-methoxy-3-phenylnaphthalene-2-carboxylate is sourced from PubChem (CID 102334362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).