methyl 3-[(3-methoxybenzoyl)amino]-5-methyl-1H-indole-2-carboxylate

C19H18N2O4 — CID 946980

IUPACmethyl 3-[(3-methoxybenzoyl)amino]-5-methyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1cccc(OC)c1
InChIInChI=1S/C19H18N2O4/c1-11-7-8-15-14(9-11)16(17(20-15)19(23)25-3)21-18(22)12-5-4-6-13(10-12)24-2/h4-10,20H,1-3H3,(H,21,22)
InChIKeyANFBQDGVMATGHU-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.52
Rot. Bonds4

About methyl 3-[(3-methoxybenzoyl)amino]-5-methyl-1H-indole-2-carboxylate

methyl 3-[(3-methoxybenzoyl)amino]-5-methyl-1H-indole-2-carboxylate (PubChem CID 946980) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl 3-[(3-methoxybenzoyl)amino]-5-methyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-methoxybenzoyl)amino]-5-methyl-1H-indole-2-carboxylate
PubChem CID946980
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namemethyl 3-[(3-methoxybenzoyl)amino]-5-methyl-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1cccc(OC)c1
InChIInChI=1S/C19H18N2O4/c1-11-7-8-15-14(9-11)16(17(20-15)19(23)25-3)21-18(22)12-5-4-6-13(10-12)24-2/h4-10,20H,1-3H3,(H,21,22)
InChIKeyANFBQDGVMATGHU-UHFFFAOYSA-N
XLogP3.52
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5,6-dimethoxy-3-[(3-methoxybenzoyl)amino]-1H-indole-2-carboxylate
CID 660254
ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate
CID 100981715
3-methoxy-N-(2-methyl-4-oxo-1H-quinolin-6-yl)benzamide
CID 39848932
N-(3-methoxypropyl)-5-methyl-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide
CID 46391803
methyl 3-(1,3-benzodioxole-5-carbonylamino)-6-methoxy-1H-indole-2-carboxylate
CID 662670
N-(2-amino-4,6-dimethylphenyl)-3-methoxybenzamide
CID 56773263
4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-methyl-1H-indol-3-yl]benzamide
CID 46391919
methyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749076
ethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate
CID 6615701
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-methoxybenzamide
CID 46249095
methyl 5-methyl-3-[(2-thiomorpholin-4-ium-4-ylacetyl)amino]-1H-indole-2-carboxylate
CID 7380780
3-methoxy-N-(4-methyl-2-phenylphenyl)benzamide
CID 110441633

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methoxybenzoyl)amino]-5-methyl-1H-indole-2-carboxylate?
The IUPAC name of methyl 3-[(3-methoxybenzoyl)amino]-5-methyl-1H-indole-2-carboxylate (CID 946980) is methyl 3-[(3-methoxybenzoyl)amino]-5-methyl-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 3-[(3-methoxybenzoyl)amino]-5-methyl-1H-indole-2-carboxylate?
The canonical SMILES for methyl 3-[(3-methoxybenzoyl)amino]-5-methyl-1H-indole-2-carboxylate is COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1cccc(OC)c1.
What is the InChIKey of methyl 3-[(3-methoxybenzoyl)amino]-5-methyl-1H-indole-2-carboxylate?
The InChIKey is ANFBQDGVMATGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-11-7-8-15-14(9-11)16(17(20-15)19(23)25-3)21-18(22)12-5-4-6-13(10-12)24-2/h4-10,20H,1-3H3,(H,21,22).
What are the key properties of methyl 3-[(3-methoxybenzoyl)amino]-5-methyl-1H-indole-2-carboxylate?
methyl 3-[(3-methoxybenzoyl)amino]-5-methyl-1H-indole-2-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methoxybenzoyl)amino]-5-methyl-1H-indole-2-carboxylate is sourced from PubChem (CID 946980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).