methyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate

C21H19NO4 — CID 18093375

IUPACmethyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate
SMILESCCOc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C21H19NO4/c1-3-26-19-13-15-9-5-4-8-14(15)12-17(19)20(23)22-18-11-7-6-10-16(18)21(24)25-2/h4-13H,3H2,1-2H3,(H,22,23)
InChIKeyVKGUZOXAJUXFNS-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.28
Rot. Bonds5

About methyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate

methyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate (PubChem CID 18093375) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is methyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate
PubChem CID18093375
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Namemethyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate
SMILESCCOc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C21H19NO4/c1-3-26-19-13-15-9-5-4-8-14(15)12-17(19)20(23)22-18-11-7-6-10-16(18)21(24)25-2/h4-13H,3H2,1-2H3,(H,22,23)
InChIKeyVKGUZOXAJUXFNS-UHFFFAOYSA-N
XLogP4.28
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate
CID 5262911
methyl 2-[(3-ethoxybenzoyl)amino]benzoate
CID 881681
3-ethoxy-N'-(4-methoxybenzoyl)naphthalene-2-carbohydrazide
CID 24585783
3-ethoxy-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 24506289
2,4-diethoxy-N-(2-ethoxyphenyl)benzamide
CID 17340647
methyl 2-[(2-ethoxyphenoxy)methylcarbamoylamino]benzoate
CID 108877191
ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate
CID 5149682
3-ethoxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 18093536
methyl 2-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoate
CID 118626412
3-ethoxy-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide
CID 24588283
methyl 3-[(5-bromo-2-ethoxybenzoyl)amino]-2-methylbenzoate
CID 17341933
N-(2,5-diethoxyphenyl)-2-ethoxybenzamide
CID 43000684

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate (CID 18093375) is methyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate is CCOc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate?
The InChIKey is VKGUZOXAJUXFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-3-26-19-13-15-9-5-4-8-14(15)12-17(19)20(23)22-18-11-7-6-10-16(18)21(24)25-2/h4-13H,3H2,1-2H3,(H,22,23).
What are the key properties of methyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate?
methyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate has a molecular weight of 349.39 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate is sourced from PubChem (CID 18093375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).