methyl 5-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride

C16H19ClN2O4 — CID 119293494

IUPACmethyl 5-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(CNC(=O)c2ccc(CN)cc2)oc1C.Cl
InChIInChI=1S/C16H18N2O4.ClH/c1-10-14(16(20)21-2)7-13(22-10)9-18-15(19)12-5-3-11(8-17)4-6-12;/h3-7H,8-9,17H2,1-2H3,(H,18,19);1H
InChIKeyOVFINUCMAYUHPR-UHFFFAOYSA-N
MW338.79 g/mol
LogP2.19
Rot. Bonds5

About methyl 5-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride

methyl 5-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride (PubChem CID 119293494) has the molecular formula C16H19ClN2O4 and a molecular weight of 338.79 g/mol. Its IUPAC name is methyl 5-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride
PubChem CID119293494
Molecular FormulaC16H19ClN2O4
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Namemethyl 5-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(CNC(=O)c2ccc(CN)cc2)oc1C.Cl
InChIInChI=1S/C16H18N2O4.ClH/c1-10-14(16(20)21-2)7-13(22-10)9-18-15(19)12-5-3-11(8-17)4-6-12;/h3-7H,8-9,17H2,1-2H3,(H,18,19);1H
InChIKeyOVFINUCMAYUHPR-UHFFFAOYSA-N
XLogP2.19
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-methyl-5-[[[4-(phenylcarbamoylamino)benzoyl]amino]methyl]furan-3-carboxylate
CID 55619007
methyl 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 47069980
methyl 5-[[4-(aminomethyl)phenoxy]methyl]-2-methylfuran-3-carboxylate
CID 106484958
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
5-[[[4-(hydroxymethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024302
methyl 2-methyl-5-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]furan-3-carboxylate
CID 55612622
methyl 5-[[[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 55618826
methyl 5-[[(4-tert-butyl-3-nitrobenzoyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 78861277
methyl 5-[[(5-bromo-2-iodobenzoyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 55612426
methyl 5-[(2-aminopentanoylamino)methyl]-2-methylfuran-3-carboxylate;hydrochloride
CID 119293502
methyl 5-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 119731058
5-[[[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226494

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride?
The IUPAC name of methyl 5-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride (CID 119293494) is methyl 5-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 5-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 5-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride is COC(=O)c1cc(CNC(=O)c2ccc(CN)cc2)oc1C.Cl.
What is the InChIKey of methyl 5-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride?
The InChIKey is OVFINUCMAYUHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4.ClH/c1-10-14(16(20)21-2)7-13(22-10)9-18-15(19)12-5-3-11(8-17)4-6-12;/h3-7H,8-9,17H2,1-2H3,(H,18,19);1H.
What are the key properties of methyl 5-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride?
methyl 5-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride has a molecular weight of 338.79 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride is sourced from PubChem (CID 119293494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).