3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid

C20H22N2O5 — CID 122120326

IUPAC3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
SMILESCOc1cc2c(cc1NC(=O)CN(C)CC(C)C(=O)O)oc1ccccc12
InChIInChI=1S/C20H22N2O5/c1-12(20(24)25)10-22(2)11-19(23)21-15-9-17-14(8-18(15)26-3)13-6-4-5-7-16(13)27-17/h4-9,12H,10-11H2,1-3H3,(H,21,23)(H,24,25)
InChIKeyNFJOJNWRTDPGJX-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.19
Rot. Bonds7

About 3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid

3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid (PubChem CID 122120326) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
PubChem CID122120326
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
SMILESCOc1cc2c(cc1NC(=O)CN(C)CC(C)C(=O)O)oc1ccccc12
InChIInChI=1S/C20H22N2O5/c1-12(20(24)25)10-22(2)11-19(23)21-15-9-17-14(8-18(15)26-3)13-6-4-5-7-16(13)27-17/h4-9,12H,10-11H2,1-3H3,(H,21,23)(H,24,25)
InChIKeyNFJOJNWRTDPGJX-UHFFFAOYSA-N
XLogP3.19
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid with MolForge

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Related Compounds

2-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826575
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2698922
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 2684318
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 26645041
2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2401504
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 1254177
2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 8863615
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-hydroxy-2-phenylacetate
CID 23911923
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 3873495
2-(benzylamino)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4780757

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid (CID 122120326) is 3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid is COc1cc2c(cc1NC(=O)CN(C)CC(C)C(=O)O)oc1ccccc12.
What is the InChIKey of 3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is NFJOJNWRTDPGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-12(20(24)25)10-22(2)11-19(23)21-15-9-17-14(8-18(15)26-3)13-6-4-5-7-16(13)27-17/h4-9,12H,10-11H2,1-3H3,(H,21,23)(H,24,25).
What are the key properties of 3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid?
3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 370.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 122120326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).