2-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]butanoic acid

C20H20N2O5 — CID 120523389

IUPAC2-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1cccc(NC(=O)C2Cc3ccccc3O2)c1)C(=O)O
InChIInChI=1S/C20H20N2O5/c1-2-15(20(25)26)22-18(23)13-7-5-8-14(10-13)21-19(24)17-11-12-6-3-4-9-16(12)27-17/h3-10,15,17H,2,11H2,1H3,(H,21,24)(H,22,23)(H,25,26)
InChIKeyLVDKSYYFGBRVGI-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.22
Rot. Bonds6

About 2-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]butanoic acid

2-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]butanoic acid (PubChem CID 120523389) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]butanoic acid
PubChem CID120523389
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1cccc(NC(=O)C2Cc3ccccc3O2)c1)C(=O)O
InChIInChI=1S/C20H20N2O5/c1-2-15(20(25)26)22-18(23)13-7-5-8-14(10-13)21-19(24)17-11-12-6-3-4-9-16(12)27-17/h3-10,15,17H,2,11H2,1H3,(H,21,24)(H,22,23)(H,25,26)
InChIKeyLVDKSYYFGBRVGI-UHFFFAOYSA-N
XLogP2.22
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]butanoic acid with MolForge

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Related Compounds

N-[3-[3-(aminomethyl)pentan-3-ylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119570163
N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18140061
6-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]hexanoic acid
CID 119352210
(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41045133
N-[3-(3-aminopropylcarbamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 119406678
2-[1-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]cyclobutyl]acetic acid
CID 120522109
N-[3-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55793270
N-[3-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 155945349
N-[3-[ethyl(2-methylprop-2-enyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 87003658
ethyl 4-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]piperidine-1-carboxylate
CID 55821307
N-[3-[2-[[4-(trifluoromethyl)benzoyl]amino]ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55793040
N-[3-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 87003571

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]butanoic acid?
The IUPAC name of 2-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]butanoic acid (CID 120523389) is 2-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]butanoic acid?
The canonical SMILES for 2-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]butanoic acid is CCC(NC(=O)c1cccc(NC(=O)C2Cc3ccccc3O2)c1)C(=O)O.
What is the InChIKey of 2-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]butanoic acid?
The InChIKey is LVDKSYYFGBRVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-2-15(20(25)26)22-18(23)13-7-5-8-14(10-13)21-19(24)17-11-12-6-3-4-9-16(12)27-17/h3-10,15,17H,2,11H2,1H3,(H,21,24)(H,22,23)(H,25,26).
What are the key properties of 2-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]butanoic acid?
2-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]butanoic acid has a molecular weight of 368.39 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)benzoyl]amino]butanoic acid is sourced from PubChem (CID 120523389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).