ethyl 1-[benzoyl(methyl)amino]-5-methoxy-2-methylbenzo[g]indole-3-carboxylate

C25H24N2O4 — CID 14968408

IUPACethyl 1-[benzoyl(methyl)amino]-5-methoxy-2-methylbenzo[g]indole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(N(C)C(=O)c2ccccc2)c2c1cc(OC)c1ccccc12
InChIInChI=1S/C25H24N2O4/c1-5-31-25(29)22-16(2)27(26(3)24(28)17-11-7-6-8-12-17)23-19-14-10-9-13-18(19)21(30-4)15-20(22)23/h6-15H,5H2,1-4H3
InChIKeyMMPHADCHPKNZRC-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.70
Rot. Bonds5

About ethyl 1-[benzoyl(methyl)amino]-5-methoxy-2-methylbenzo[g]indole-3-carboxylate

ethyl 1-[benzoyl(methyl)amino]-5-methoxy-2-methylbenzo[g]indole-3-carboxylate (PubChem CID 14968408) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is ethyl 1-[benzoyl(methyl)amino]-5-methoxy-2-methylbenzo[g]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[benzoyl(methyl)amino]-5-methoxy-2-methylbenzo[g]indole-3-carboxylate
PubChem CID14968408
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Nameethyl 1-[benzoyl(methyl)amino]-5-methoxy-2-methylbenzo[g]indole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(N(C)C(=O)c2ccccc2)c2c1cc(OC)c1ccccc12
InChIInChI=1S/C25H24N2O4/c1-5-31-25(29)22-16(2)27(26(3)24(28)17-11-7-6-8-12-17)23-19-14-10-9-13-18(19)21(30-4)15-20(22)23/h6-15H,5H2,1-4H3
InChIKeyMMPHADCHPKNZRC-UHFFFAOYSA-N
XLogP4.70
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 11395614
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ethyl 2-methyl-5-(2-methylbenzoyl)oxy-1-phenylbenzo[g]indole-3-carboxylate
CID 4190776
ethyl 2-methyl-5-(3-nitrobenzoyl)oxy-1-phenylbenzo[g]indole-3-carboxylate
CID 4177682
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CID 53308687
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 90854315
ethyl 2-(benzoyloxymethyl)-6-methoxybenzoate
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diethyl 1-benzoyl-2,5-dimethylpyrrole-3,4-dicarboxylate
CID 11371307
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
1-[4-(diethylamino)phenyl]-5-methoxy-2-methylbenzo[g]indole-3-carboxylate
CID 3548393
ethyl 1-(1,4-dimethoxynaphthalen-2-yl)-5-methoxybenzo[e]benzimidazole-2-carboxylate
CID 71480596
CID 158970570
CID 158970570

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[benzoyl(methyl)amino]-5-methoxy-2-methylbenzo[g]indole-3-carboxylate?
The IUPAC name of ethyl 1-[benzoyl(methyl)amino]-5-methoxy-2-methylbenzo[g]indole-3-carboxylate (CID 14968408) is ethyl 1-[benzoyl(methyl)amino]-5-methoxy-2-methylbenzo[g]indole-3-carboxylate.
What is the SMILES notation for ethyl 1-[benzoyl(methyl)amino]-5-methoxy-2-methylbenzo[g]indole-3-carboxylate?
The canonical SMILES for ethyl 1-[benzoyl(methyl)amino]-5-methoxy-2-methylbenzo[g]indole-3-carboxylate is CCOC(=O)c1c(C)n(N(C)C(=O)c2ccccc2)c2c1cc(OC)c1ccccc12.
What is the InChIKey of ethyl 1-[benzoyl(methyl)amino]-5-methoxy-2-methylbenzo[g]indole-3-carboxylate?
The InChIKey is MMPHADCHPKNZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-5-31-25(29)22-16(2)27(26(3)24(28)17-11-7-6-8-12-17)23-19-14-10-9-13-18(19)21(30-4)15-20(22)23/h6-15H,5H2,1-4H3.
What are the key properties of ethyl 1-[benzoyl(methyl)amino]-5-methoxy-2-methylbenzo[g]indole-3-carboxylate?
ethyl 1-[benzoyl(methyl)amino]-5-methoxy-2-methylbenzo[g]indole-3-carboxylate has a molecular weight of 416.48 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[benzoyl(methyl)amino]-5-methoxy-2-methylbenzo[g]indole-3-carboxylate is sourced from PubChem (CID 14968408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).