methyl 2-[(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)amino]benzoate

C18H17NO4 — CID 2925014

IUPACmethyl 2-[(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C18H17NO4/c1-11-9-13-10-12(7-8-16(13)23-11)17(20)19-15-6-4-3-5-14(15)18(21)22-2/h3-8,10-11H,9H2,1-2H3,(H,19,20)
InChIKeyUPJRWHDJRHDXEL-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.05
Rot. Bonds3

About methyl 2-[(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)amino]benzoate

methyl 2-[(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)amino]benzoate (PubChem CID 2925014) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is methyl 2-[(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)amino]benzoate
PubChem CID2925014
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Namemethyl 2-[(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CC(C)O2
InChIInChI=1S/C18H17NO4/c1-11-9-13-10-12(7-8-16(13)23-11)17(20)19-15-6-4-3-5-14(15)18(21)22-2/h3-8,10-11H,9H2,1-2H3,(H,19,20)
InChIKeyUPJRWHDJRHDXEL-UHFFFAOYSA-N
XLogP3.05
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Dibenz(b,e)oxepin-2-carboxylic acid, 6,11-dihydro-11-(((2,6-bis(1-methylethyl)phenyl)amino)carbonyl)-, methyl ester
CID 3072813
2-(4-Methoxybenzamido)benzoic acid
CID 721421
6-butyl-3-ethyl-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
CID 56925542
6-butyl-3-iodo-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
CID 56925756
2-[(4-Ethoxybenzoyl)amino]benzoic acid
CID 590977
3-[(4-Butoxybenzoyl)amino]benzoic acid
CID 1712309
Methyl 2-[(1-benzofuran-2-ylcarbonyl)amino]benzoate
CID 678887
Benzamide, N-(2,6-dimethylphenyl)-4-methoxy-
CID 178983
N-(2-ethylphenyl)-4-methoxybenzamide
CID 710654
Methyl 2-(2-methoxybenzamido)benzoate
CID 650638
2-(2-(4-Tert-butylphenoxy)acetamido)benzoic acid
CID 4268702
ethyl 7-methoxy-2-(m-tolyl)-4-oxo-1H-quinoline-3-carboxylate
CID 46884041

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)amino]benzoate (CID 2925014) is methyl 2-[(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CC(C)O2.
What is the InChIKey of methyl 2-[(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)amino]benzoate?
The InChIKey is UPJRWHDJRHDXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-11-9-13-10-12(7-8-16(13)23-11)17(20)19-15-6-4-3-5-14(15)18(21)22-2/h3-8,10-11H,9H2,1-2H3,(H,19,20).
What are the key properties of methyl 2-[(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)amino]benzoate?
methyl 2-[(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)amino]benzoate has a molecular weight of 311.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)amino]benzoate is sourced from PubChem (CID 2925014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).