dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate

C22H19NO6 — CID 1378947

IUPACdimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cc3ccccc3cc2OC)cc(C(=O)OC)c1
InChIInChI=1S/C22H19NO6/c1-27-19-12-14-7-5-4-6-13(14)11-18(19)20(24)23-17-9-15(21(25)28-2)8-16(10-17)22(26)29-3/h4-12H,1-3H3,(H,23,24)
InChIKeyMJAGZPBQQLZJJK-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.67
Rot. Bonds5

About dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate

dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate (PubChem CID 1378947) has the molecular formula C22H19NO6 and a molecular weight of 393.40 g/mol. Its IUPAC name is dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate
PubChem CID1378947
Molecular FormulaC22H19NO6
Molecular Weight393.40 g/mol
Exact Mass393.12
IUPAC Namedimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cc3ccccc3cc2OC)cc(C(=O)OC)c1
InChIInChI=1S/C22H19NO6/c1-27-19-12-14-7-5-4-6-13(14)11-18(19)20(24)23-17-9-15(21(25)28-2)8-16(10-17)22(26)29-3/h4-12H,1-3H3,(H,23,24)
InChIKeyMJAGZPBQQLZJJK-UHFFFAOYSA-N
XLogP3.67
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-chloro-3-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 92679714
N-(3-fluorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 802408
N-[3-(ethylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 17439182
propyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 2292301
6-methoxy-7-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 23118707
N-[2-chloro-5-(phenylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 2268765
dimethyl 5-[(2-fluoro-4-methoxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 17433803
butyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 43909390
3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide
CID 5082580
3-methoxy-N-(3-methylsulfonylphenyl)naphthalene-2-carboxamide
CID 9071032
dimethyl 5-[(3,4-dimethoxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 1355426
N-(4,6-dimethylpyrimidin-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 802722

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate (CID 1378947) is dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)c2cc3ccccc3cc2OC)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate?
The InChIKey is MJAGZPBQQLZJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO6/c1-27-19-12-14-7-5-4-6-13(14)11-18(19)20(24)23-17-9-15(21(25)28-2)8-16(10-17)22(26)29-3/h4-12H,1-3H3,(H,23,24).
What are the key properties of dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate?
dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate has a molecular weight of 393.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 1378947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).