methyl 2-methyl-5-[[[4-(phenylcarbamoylamino)benzoyl]amino]methyl]furan-3-carboxylate

C22H21N3O5 — CID 55619007

IUPACmethyl 2-methyl-5-[[[4-(phenylcarbamoylamino)benzoyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)oc1C
InChIInChI=1S/C22H21N3O5/c1-14-19(21(27)29-2)12-18(30-14)13-23-20(26)15-8-10-17(11-9-15)25-22(28)24-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,23,26)(H2,24,25,28)
InChIKeyNMMSTSQXYZBZIG-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.95
Rot. Bonds6

About methyl 2-methyl-5-[[[4-(phenylcarbamoylamino)benzoyl]amino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[[4-(phenylcarbamoylamino)benzoyl]amino]methyl]furan-3-carboxylate (PubChem CID 55619007) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is methyl 2-methyl-5-[[[4-(phenylcarbamoylamino)benzoyl]amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[[4-(phenylcarbamoylamino)benzoyl]amino]methyl]furan-3-carboxylate
PubChem CID55619007
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC Namemethyl 2-methyl-5-[[[4-(phenylcarbamoylamino)benzoyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)oc1C
InChIInChI=1S/C22H21N3O5/c1-14-19(21(27)29-2)12-18(30-14)13-23-20(26)15-8-10-17(11-9-15)25-22(28)24-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,23,26)(H2,24,25,28)
InChIKeyNMMSTSQXYZBZIG-UHFFFAOYSA-N
XLogP3.95
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-5-[[[4-(phenylcarbamoylamino)benzoyl]amino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

methyl 5-[[[4-(aminomethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate;hydrochloride
CID 119293494
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
methyl 5-[[[3-(2-methoxyethoxy)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 47069980
N-[(2,5-dimethoxyphenyl)methyl]-4-(phenylcarbamoylamino)benzamide
CID 33104762
methyl 5-[[[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 55618826
methyl 2-methyl-5-[[(4-oxo-3H-phthalazine-1-carbonyl)amino]methyl]furan-3-carboxylate
CID 124504957
1-[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]-3-phenylurea
CID 34999919
5-[[[4-(hydroxymethyl)benzoyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 61024302
methyl 5-[[(4-tert-butyl-3-nitrobenzoyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 78861277
methyl 2-methyl-5-[[[3-[(3-methylphenyl)methoxy]benzoyl]amino]methyl]furan-3-carboxylate
CID 55612622
methyl 5-[[[5-acetamido-2-(methanesulfonamido)benzoyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 56579697
N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 17234281

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[[4-(phenylcarbamoylamino)benzoyl]amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[[4-(phenylcarbamoylamino)benzoyl]amino]methyl]furan-3-carboxylate (CID 55619007) is methyl 2-methyl-5-[[[4-(phenylcarbamoylamino)benzoyl]amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[[4-(phenylcarbamoylamino)benzoyl]amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[[4-(phenylcarbamoylamino)benzoyl]amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[[4-(phenylcarbamoylamino)benzoyl]amino]methyl]furan-3-carboxylate?
The InChIKey is NMMSTSQXYZBZIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-14-19(21(27)29-2)12-18(30-14)13-23-20(26)15-8-10-17(11-9-15)25-22(28)24-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,23,26)(H2,24,25,28).
What are the key properties of methyl 2-methyl-5-[[[4-(phenylcarbamoylamino)benzoyl]amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[[4-(phenylcarbamoylamino)benzoyl]amino]methyl]furan-3-carboxylate has a molecular weight of 407.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[[4-(phenylcarbamoylamino)benzoyl]amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 55619007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).