methyl 3-[[3-[[2-(dimethylamino)acetyl]amino]anilino]methyl]-5-methoxybenzoate

C20H25N3O4 — CID 10761741

IUPACmethyl 3-[[3-[[2-(dimethylamino)acetyl]amino]anilino]methyl]-5-methoxybenzoate
SMILESCOC(=O)c1cc(CNc2cccc(NC(=O)CN(C)C)c2)cc(OC)c1
InChIInChI=1S/C20H25N3O4/c1-23(2)13-19(24)22-17-7-5-6-16(11-17)21-12-14-8-15(20(25)27-4)10-18(9-14)26-3/h5-11,21H,12-13H2,1-4H3,(H,22,24)
InChIKeyMFVJOZBWOGJYKY-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.59
Rot. Bonds8

About methyl 3-[[3-[[2-(dimethylamino)acetyl]amino]anilino]methyl]-5-methoxybenzoate

methyl 3-[[3-[[2-(dimethylamino)acetyl]amino]anilino]methyl]-5-methoxybenzoate (PubChem CID 10761741) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is methyl 3-[[3-[[2-(dimethylamino)acetyl]amino]anilino]methyl]-5-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-[[3-[[2-(dimethylamino)acetyl]amino]anilino]methyl]-5-methoxybenzoate
PubChem CID10761741
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Namemethyl 3-[[3-[[2-(dimethylamino)acetyl]amino]anilino]methyl]-5-methoxybenzoate
SMILESCOC(=O)c1cc(CNc2cccc(NC(=O)CN(C)C)c2)cc(OC)c1
InChIInChI=1S/C20H25N3O4/c1-23(2)13-19(24)22-17-7-5-6-16(11-17)21-12-14-8-15(20(25)27-4)10-18(9-14)26-3/h5-11,21H,12-13H2,1-4H3,(H,22,24)
InChIKeyMFVJOZBWOGJYKY-UHFFFAOYSA-N
XLogP2.59
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[3-[[2-(dimethylamino)acetyl]amino]anilino]methyl]-5-methoxybenzoate with MolForge

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Related Compounds

3-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]-5-methoxybenzoic acid
CID 131948960
N-[3-[(3-methoxyphenyl)methylamino]phenyl]propanamide
CID 28661894
dimethyl 5-[[2-(dimethylamino)acetyl]amino]benzene-1,3-dicarboxylate
CID 17376207
methyl 3-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 31632489
methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 9418842
2-(dimethylamino)-N-[3-[[[N-[(3-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 111249856
N-[3-(carbamothioylamino)phenyl]-2-(dimethylamino)acetamide
CID 169356675
methyl 3-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylcarbamoyl]-5-nitrobenzoate
CID 55797250
2-[4-[(3,5-dimethoxyphenyl)methylamino]phenyl]-N-phenylacetamide
CID 42852472
methyl 4-[[[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]methyl]benzoate
CID 9026172
2-(dimethylamino)-N-(3-hydroxyphenyl)acetamide
CID 103846180
4-O-[2-(3-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296644

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-[[2-(dimethylamino)acetyl]amino]anilino]methyl]-5-methoxybenzoate?
The IUPAC name of methyl 3-[[3-[[2-(dimethylamino)acetyl]amino]anilino]methyl]-5-methoxybenzoate (CID 10761741) is methyl 3-[[3-[[2-(dimethylamino)acetyl]amino]anilino]methyl]-5-methoxybenzoate.
What is the SMILES notation for methyl 3-[[3-[[2-(dimethylamino)acetyl]amino]anilino]methyl]-5-methoxybenzoate?
The canonical SMILES for methyl 3-[[3-[[2-(dimethylamino)acetyl]amino]anilino]methyl]-5-methoxybenzoate is COC(=O)c1cc(CNc2cccc(NC(=O)CN(C)C)c2)cc(OC)c1.
What is the InChIKey of methyl 3-[[3-[[2-(dimethylamino)acetyl]amino]anilino]methyl]-5-methoxybenzoate?
The InChIKey is MFVJOZBWOGJYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-23(2)13-19(24)22-17-7-5-6-16(11-17)21-12-14-8-15(20(25)27-4)10-18(9-14)26-3/h5-11,21H,12-13H2,1-4H3,(H,22,24).
What are the key properties of methyl 3-[[3-[[2-(dimethylamino)acetyl]amino]anilino]methyl]-5-methoxybenzoate?
methyl 3-[[3-[[2-(dimethylamino)acetyl]amino]anilino]methyl]-5-methoxybenzoate has a molecular weight of 371.44 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-[[2-(dimethylamino)acetyl]amino]anilino]methyl]-5-methoxybenzoate is sourced from PubChem (CID 10761741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).