methyl 2-methyl-5-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]furan-3-carboxylate

C23H23NO5 — CID 55612622

IUPACmethyl 2-methyl-5-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)c2cccc(OCc3cccc(C)c3)c2)oc1C
InChIInChI=1S/C23H23NO5/c1-15-6-4-7-17(10-15)14-28-19-9-5-8-18(11-19)22(25)24-13-20-12-21(16(2)29-20)23(26)27-3/h4-12H,13-14H2,1-3H3,(H,24,25)
InChIKeyVVHOPIKHTFTGHZ-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.19
Rot. Bonds7

About methyl 2-methyl-5-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]furan-3-carboxylate (PubChem CID 55612622) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is methyl 2-methyl-5-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]furan-3-carboxylate
PubChem CID55612622
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Namemethyl 2-methyl-5-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)c2cccc(OCc3cccc(C)c3)c2)oc1C
InChIInChI=1S/C23H23NO5/c1-15-6-4-7-17(10-15)14-28-19-9-5-8-18(11-19)22(25)24-13-20-12-21(16(2)29-20)23(26)27-3/h4-12H,13-14H2,1-3H3,(H,24,25)
InChIKeyVVHOPIKHTFTGHZ-UHFFFAOYSA-N
XLogP4.19
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 47069980
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
3-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]benzamide
CID 33097042
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 32619190
methyl 5-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride
CID 119293494
N-[2-(ethylamino)ethyl]-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119508535
methyl 6-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]hexanoate
CID 46557017
methyl 2-methyl-5-[[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate
CID 31712108
N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119995953
methyl 5-[[(3-methoxyphenyl)methylamino]methyl]-2-methylfuran-3-carboxylate
CID 60649742
N'-[3-[(3-methylphenyl)methoxy]benzoyl]pyridine-3-carbohydrazide
CID 35153545
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]furan-3-carboxylate (CID 55612622) is methyl 2-methyl-5-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CNC(=O)c2cccc(OCc3cccc(C)c3)c2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]furan-3-carboxylate?
The InChIKey is VVHOPIKHTFTGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-15-6-4-7-17(10-15)14-28-19-9-5-8-18(11-19)22(25)24-13-20-12-21(16(2)29-20)23(26)27-3/h4-12H,13-14H2,1-3H3,(H,24,25).
What are the key properties of methyl 2-methyl-5-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]furan-3-carboxylate has a molecular weight of 393.44 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 55612622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).