methyl 4-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate

C19H18N2O4 — CID 155925304

IUPACmethyl 4-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cc2cn(OC)c3ccccc23)cc1
InChIInChI=1S/C19H18N2O4/c1-24-19(23)13-7-9-15(10-8-13)20-18(22)11-14-12-21(25-2)17-6-4-3-5-16(14)17/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyNQGGGNVUCQSHAO-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.67
Rot. Bonds5

About methyl 4-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate

methyl 4-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate (PubChem CID 155925304) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl 4-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate
PubChem CID155925304
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namemethyl 4-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cc2cn(OC)c3ccccc23)cc1
InChIInChI=1S/C19H18N2O4/c1-24-19(23)13-7-9-15(10-8-13)20-18(22)11-14-12-21(25-2)17-6-4-3-5-16(14)17/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyNQGGGNVUCQSHAO-UHFFFAOYSA-N
XLogP2.67
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methoxyindol-3-yl)-N-(3-methoxyphenyl)acetamide
CID 141490312
2-(1-methoxyindol-3-yl)-N-pyridin-2-ylacetamide
CID 141490268
2-hydroxy-N-[2-(1-methoxyindol-3-yl)ethyl]acetamide
CID 69330952
methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 6466904
methyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate
CID 645249
3-methyl-N-[4-[[2-(1-methylindol-3-yl)acetyl]amino]phenyl]butanamide
CID 47078833
methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]anilino]benzoate
CID 112988583
methyl 4-[(2-phenylsulfanylacetyl)amino]benzoate
CID 807677
methyl 4-[[2-[3-[(2-methylphenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate
CID 30559177
methyl 4-[(2-bromoacetyl)amino]benzoate
CID 3416406
methyl 4-[(2-sulfanylacetyl)amino]benzoate
CID 59707367
methyl 4-[[2-[[2-(2-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 112999954

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate (CID 155925304) is methyl 4-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)Cc2cn(OC)c3ccccc23)cc1.
What is the InChIKey of methyl 4-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate?
The InChIKey is NQGGGNVUCQSHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-24-19(23)13-7-9-15(10-8-13)20-18(22)11-14-12-21(25-2)17-6-4-3-5-16(14)17/h3-10,12H,11H2,1-2H3,(H,20,22).
What are the key properties of methyl 4-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate?
methyl 4-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate has a molecular weight of 338.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(1-methoxyindol-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 155925304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).