N-[3-(2-methoxyanilino)-3-oxopropyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C19H20N2O4 — CID 56744558

IUPACN-[3-(2-methoxyanilino)-3-oxopropyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCOc1ccccc1NC(=O)CCNC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H20N2O4/c1-24-17-5-3-2-4-15(17)21-18(22)8-10-20-19(23)14-6-7-16-13(12-14)9-11-25-16/h2-7,12H,8-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyALVMCMXALKJWFD-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.39
Rot. Bonds6

About N-[3-(2-methoxyanilino)-3-oxopropyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[3-(2-methoxyanilino)-3-oxopropyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 56744558) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[3-(2-methoxyanilino)-3-oxopropyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyanilino)-3-oxopropyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID56744558
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[3-(2-methoxyanilino)-3-oxopropyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCOc1ccccc1NC(=O)CCNC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H20N2O4/c1-24-17-5-3-2-4-15(17)21-18(22)8-10-20-19(23)14-6-7-16-13(12-14)9-11-25-16/h2-7,12H,8-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyALVMCMXALKJWFD-UHFFFAOYSA-N
XLogP2.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-N-[3-(2-methoxyanilino)-3-oxopropyl]benzamide
CID 17191665
(2-methoxyphenyl) 2,3-dihydro-1-benzofuran-5-carboxylate
CID 47160994
2-chloro-N-[3-(2-methoxyanilino)-3-oxopropyl]-1,3-benzothiazole-6-carboxamide
CID 100787501
N-[4-(2-methoxyanilino)-4-oxobutyl]benzamide
CID 29371184
N-(4-chloro-2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693481
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(2-methoxyphenyl)propanamide
CID 110792398
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55725736
4-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-methylbutanoic acid
CID 80539298
N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]benzamide
CID 9098271
methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoate
CID 103879254
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyphenyl)sulfanylethanone
CID 60593538

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyanilino)-3-oxopropyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[3-(2-methoxyanilino)-3-oxopropyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 56744558) is N-[3-(2-methoxyanilino)-3-oxopropyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyanilino)-3-oxopropyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[3-(2-methoxyanilino)-3-oxopropyl]-2,3-dihydro-1-benzofuran-5-carboxamide is COc1ccccc1NC(=O)CCNC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[3-(2-methoxyanilino)-3-oxopropyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is ALVMCMXALKJWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-24-17-5-3-2-4-15(17)21-18(22)8-10-20-19(23)14-6-7-16-13(12-14)9-11-25-16/h2-7,12H,8-11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(2-methoxyanilino)-3-oxopropyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[3-(2-methoxyanilino)-3-oxopropyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyanilino)-3-oxopropyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 56744558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).