propyl 4-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]benzoate

C21H21NO5 — CID 29456795

IUPACpropyl 4-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2oc3ccccc3c2COC)cc1
InChIInChI=1S/C21H21NO5/c1-3-12-26-21(24)14-8-10-15(11-9-14)22-20(23)19-17(13-25-2)16-6-4-5-7-18(16)27-19/h4-11H,3,12-13H2,1-2H3,(H,22,23)
InChIKeyFFYHVVRHOBDQEG-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.40
Rot. Bonds7

About propyl 4-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]benzoate

propyl 4-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]benzoate (PubChem CID 29456795) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is propyl 4-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]benzoate
PubChem CID29456795
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Namepropyl 4-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2oc3ccccc3c2COC)cc1
InChIInChI=1S/C21H21NO5/c1-3-12-26-21(24)14-8-10-15(11-9-14)22-20(23)19-17(13-25-2)16-6-4-5-7-18(16)27-19/h4-11H,3,12-13H2,1-2H3,(H,22,23)
InChIKeyFFYHVVRHOBDQEG-UHFFFAOYSA-N
XLogP4.40
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propyl 4-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(4-anilinophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55370282
3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide
CID 30728400
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
[2-(4-ethylanilino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551748
3-(methoxymethyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 55478663
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 18084321
3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 7734068
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 49170375
N-(2-ethoxyphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7699468
[2-(4-cyanoanilino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7552891
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973
N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55899409

Frequently Asked Questions

What is the IUPAC name of propyl 4-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]benzoate?
The IUPAC name of propyl 4-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]benzoate (CID 29456795) is propyl 4-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]benzoate.
What is the SMILES notation for propyl 4-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]benzoate?
The canonical SMILES for propyl 4-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2oc3ccccc3c2COC)cc1.
What is the InChIKey of propyl 4-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]benzoate?
The InChIKey is FFYHVVRHOBDQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-3-12-26-21(24)14-8-10-15(11-9-14)22-20(23)19-17(13-25-2)16-6-4-5-7-18(16)27-19/h4-11H,3,12-13H2,1-2H3,(H,22,23).
What are the key properties of propyl 4-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]benzoate?
propyl 4-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]benzoate has a molecular weight of 367.40 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]benzoate is sourced from PubChem (CID 29456795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).