2-[[2-[4-[(7-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetyl]amino]acetic acid

C20H18N2O5 — CID 75429273

IUPAC2-[[2-[4-[(7-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetyl]amino]acetic acid
SMILESCc1cccc2cc(C(=O)Nc3ccc(CC(=O)NCC(=O)O)cc3)oc12
InChIInChI=1S/C20H18N2O5/c1-12-3-2-4-14-10-16(27-19(12)14)20(26)22-15-7-5-13(6-8-15)9-17(23)21-11-18(24)25/h2-8,10H,9,11H2,1H3,(H,21,23)(H,22,26)(H,24,25)
InChIKeyWOWQKFUSYKTRSC-UHFFFAOYSA-N
MW366.37 g/mol
LogP2.74
Rot. Bonds6

About 2-[[2-[4-[(7-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetyl]amino]acetic acid

2-[[2-[4-[(7-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetyl]amino]acetic acid (PubChem CID 75429273) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-[[2-[4-[(7-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-[(7-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetyl]amino]acetic acid
PubChem CID75429273
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name2-[[2-[4-[(7-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetyl]amino]acetic acid
SMILESCc1cccc2cc(C(=O)Nc3ccc(CC(=O)NCC(=O)O)cc3)oc12
InChIInChI=1S/C20H18N2O5/c1-12-3-2-4-14-10-16(27-19(12)14)20(26)22-15-7-5-13(6-8-15)9-17(23)21-11-18(24)25/h2-8,10H,9,11H2,1H3,(H,21,23)(H,22,26)(H,24,25)
InChIKeyWOWQKFUSYKTRSC-UHFFFAOYSA-N
XLogP2.74
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[4-[(7-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetyl]amino]acetic acid with MolForge

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Related Compounds

N-(3,5-dichlorophenyl)-7-methyl-1-benzofuran-2-carboxamide
CID 100795319
N-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide
CID 48981916
5-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid
CID 119234840
2-methyl-3-[(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 71915499
2-[[2-[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224485
2-(4-bromophenyl)-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114724990
N-(2-fluorophenyl)-7-methyl-1-benzofuran-2-carboxamide
CID 48980668
N-tert-butyl-7-methyl-1-benzofuran-2-carboxamide
CID 48980635
N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
CID 39705718
2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224414
N-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide
CID 99646762
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[(7-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-[(7-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetyl]amino]acetic acid (CID 75429273) is 2-[[2-[4-[(7-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-[(7-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-[(7-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetyl]amino]acetic acid is Cc1cccc2cc(C(=O)Nc3ccc(CC(=O)NCC(=O)O)cc3)oc12.
What is the InChIKey of 2-[[2-[4-[(7-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetyl]amino]acetic acid?
The InChIKey is WOWQKFUSYKTRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-12-3-2-4-14-10-16(27-19(12)14)20(26)22-15-7-5-13(6-8-15)9-17(23)21-11-18(24)25/h2-8,10H,9,11H2,1H3,(H,21,23)(H,22,26)(H,24,25).
What are the key properties of 2-[[2-[4-[(7-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetyl]amino]acetic acid?
2-[[2-[4-[(7-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetyl]amino]acetic acid has a molecular weight of 366.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[(7-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 75429273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).