propyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate

C22H21NO4 — CID 2292301

IUPACpropyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1
InChIInChI=1S/C22H21NO4/c1-3-12-27-22(25)15-8-10-18(11-9-15)23-21(24)19-13-16-6-4-5-7-17(16)14-20(19)26-2/h4-11,13-14H,3,12H2,1-2H3,(H,23,24)
InChIKeyWELNPLITDQCXMQ-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.67
Rot. Bonds6

About propyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate

propyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate (PubChem CID 2292301) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is propyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
PubChem CID2292301
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Namepropyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1
InChIInChI=1S/C22H21NO4/c1-3-12-27-22(25)15-8-10-18(11-9-15)23-21(24)19-13-16-6-4-5-7-17(16)14-20(19)26-2/h4-11,13-14H,3,12H2,1-2H3,(H,23,24)
InChIKeyWELNPLITDQCXMQ-UHFFFAOYSA-N
XLogP4.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

butyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 43909390
propyl 4-[(2-methoxy-5-sulfamoylbenzoyl)amino]benzoate
CID 26864927
propyl 4-[(2-ethoxybenzoyl)amino]benzoate
CID 4565616
dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate
CID 1378947
N-[4-[(2R)-butan-2-yl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 7935730
propyl 4-[(6-methoxy-2-oxochromene-3-carbonyl)amino]benzoate
CID 19207105
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate
CID 7811220
6-methoxy-7-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 23118707
propyl 4-[(2-propylsulfonylbenzoyl)amino]benzoate
CID 17224802
pentyl 4-(naphthalene-1-carbonylamino)benzoate
CID 19203532
N-[3-(ethylcarbamoyl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 17439182
ethyl 4-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)amino]benzoate
CID 50812484

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate?
The IUPAC name of propyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate (CID 2292301) is propyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate.
What is the SMILES notation for propyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate?
The canonical SMILES for propyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1.
What is the InChIKey of propyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate?
The InChIKey is WELNPLITDQCXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-3-12-27-22(25)15-8-10-18(11-9-15)23-21(24)19-13-16-6-4-5-7-17(16)14-20(19)26-2/h4-11,13-14H,3,12H2,1-2H3,(H,23,24).
What are the key properties of propyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate?
propyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate has a molecular weight of 363.41 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate is sourced from PubChem (CID 2292301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).