methyl 5-[[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]methyl]-2-methoxybenzoate

C21H26N2O4 — CID 86999434

IUPACmethyl 5-[[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]methyl]-2-methoxybenzoate
SMILESCCN(Cc1cccc(C)c1)C(=O)NCc1ccc(OC)c(C(=O)OC)c1
InChIInChI=1S/C21H26N2O4/c1-5-23(14-17-8-6-7-15(2)11-17)21(25)22-13-16-9-10-19(26-3)18(12-16)20(24)27-4/h6-12H,5,13-14H2,1-4H3,(H,22,25)
InChIKeySUZMLBLJVOQWEZ-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.52
Rot. Bonds7

About methyl 5-[[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]methyl]-2-methoxybenzoate

methyl 5-[[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]methyl]-2-methoxybenzoate (PubChem CID 86999434) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is methyl 5-[[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]methyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]methyl]-2-methoxybenzoate
PubChem CID86999434
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Namemethyl 5-[[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]methyl]-2-methoxybenzoate
SMILESCCN(Cc1cccc(C)c1)C(=O)NCc1ccc(OC)c(C(=O)OC)c1
InChIInChI=1S/C21H26N2O4/c1-5-23(14-17-8-6-7-15(2)11-17)21(25)22-13-16-9-10-19(26-3)18(12-16)20(24)27-4/h6-12H,5,13-14H2,1-4H3,(H,22,25)
InChIKeySUZMLBLJVOQWEZ-UHFFFAOYSA-N
XLogP3.52
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-[[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]methyl]-2-methoxybenzoate with MolForge

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Related Compounds

methyl 5-[[[N-ethyl-N'-[(3-methylphenyl)methyl]carbamimidoyl]amino]methyl]-2-methoxybenzoate;hydroiodide
CID 111900490
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-ethyl-1-[(3-fluorophenyl)methyl]urea
CID 55484556
methyl 2-methoxy-5-[[3-(4-methylphenyl)prop-2-enoylamino]methyl]benzoate
CID 75618723
1-benzyl-1-ethyl-3-[(4-methylphenyl)methyl]urea
CID 108899084
2-[3-[2-[[[benzyl(ethyl)carbamoyl]amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58148876
methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate
CID 78781017
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996749
5-amino-2-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 61103300
3-[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]-N,N-dimethylpropanamide
CID 87007743
2-[3-[2-[[ethyl(pyridin-3-ylmethylcarbamoyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58149157
1-ethyl-3-[(3-methoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]urea
CID 86984495
methyl 2-methoxy-5-[[[2-(methylamino)acetyl]amino]methyl]benzoate
CID 119726463

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]methyl]-2-methoxybenzoate?
The IUPAC name of methyl 5-[[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]methyl]-2-methoxybenzoate (CID 86999434) is methyl 5-[[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]methyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]methyl]-2-methoxybenzoate?
The canonical SMILES for methyl 5-[[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]methyl]-2-methoxybenzoate is CCN(Cc1cccc(C)c1)C(=O)NCc1ccc(OC)c(C(=O)OC)c1.
What is the InChIKey of methyl 5-[[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]methyl]-2-methoxybenzoate?
The InChIKey is SUZMLBLJVOQWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-5-23(14-17-8-6-7-15(2)11-17)21(25)22-13-16-9-10-19(26-3)18(12-16)20(24)27-4/h6-12H,5,13-14H2,1-4H3,(H,22,25).
What are the key properties of methyl 5-[[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]methyl]-2-methoxybenzoate?
methyl 5-[[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]methyl]-2-methoxybenzoate has a molecular weight of 370.45 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[ethyl-[(3-methylphenyl)methyl]carbamoyl]amino]methyl]-2-methoxybenzoate is sourced from PubChem (CID 86999434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).