benzyl 2-[(5-methyl-1-benzofuran-2-carbonyl)amino]acetate

C19H17NO4 — CID 60550544

IUPACbenzyl 2-[(5-methyl-1-benzofuran-2-carbonyl)amino]acetate
SMILESCc1ccc2oc(C(=O)NCC(=O)OCc3ccccc3)cc2c1
InChIInChI=1S/C19H17NO4/c1-13-7-8-16-15(9-13)10-17(24-16)19(22)20-11-18(21)23-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,20,22)
InChIKeyLLGDZTNUQRTLFS-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.21
Rot. Bonds5

About benzyl 2-[(5-methyl-1-benzofuran-2-carbonyl)amino]acetate

benzyl 2-[(5-methyl-1-benzofuran-2-carbonyl)amino]acetate (PubChem CID 60550544) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is benzyl 2-[(5-methyl-1-benzofuran-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(5-methyl-1-benzofuran-2-carbonyl)amino]acetate
PubChem CID60550544
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Namebenzyl 2-[(5-methyl-1-benzofuran-2-carbonyl)amino]acetate
SMILESCc1ccc2oc(C(=O)NCC(=O)OCc3ccccc3)cc2c1
InChIInChI=1S/C19H17NO4/c1-13-7-8-16-15(9-13)10-17(24-16)19(22)20-11-18(21)23-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,20,22)
InChIKeyLLGDZTNUQRTLFS-UHFFFAOYSA-N
XLogP3.21
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 115598745
benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899424
benzyl 2-benzamidoacetate;ethane
CID 142836612
N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 63731357
(7-methyl-2-oxochromen-4-yl)methyl 2-[(2-phenylacetyl)amino]acetate
CID 30112317
benzyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate
CID 32677770
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide
CID 115409727
N-[2-(4-methylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 20857004
2-[[(5-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid
CID 65219540
(2,5-dimethylphenyl)methyl 2-(furan-2-carbonylamino)acetate
CID 46791464

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(5-methyl-1-benzofuran-2-carbonyl)amino]acetate?
The IUPAC name of benzyl 2-[(5-methyl-1-benzofuran-2-carbonyl)amino]acetate (CID 60550544) is benzyl 2-[(5-methyl-1-benzofuran-2-carbonyl)amino]acetate.
What is the SMILES notation for benzyl 2-[(5-methyl-1-benzofuran-2-carbonyl)amino]acetate?
The canonical SMILES for benzyl 2-[(5-methyl-1-benzofuran-2-carbonyl)amino]acetate is Cc1ccc2oc(C(=O)NCC(=O)OCc3ccccc3)cc2c1.
What is the InChIKey of benzyl 2-[(5-methyl-1-benzofuran-2-carbonyl)amino]acetate?
The InChIKey is LLGDZTNUQRTLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-13-7-8-16-15(9-13)10-17(24-16)19(22)20-11-18(21)23-12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,20,22).
What are the key properties of benzyl 2-[(5-methyl-1-benzofuran-2-carbonyl)amino]acetate?
benzyl 2-[(5-methyl-1-benzofuran-2-carbonyl)amino]acetate has a molecular weight of 323.35 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(5-methyl-1-benzofuran-2-carbonyl)amino]acetate is sourced from PubChem (CID 60550544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).