methyl 1-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]-2,3-dihydroindole-5-carboxylate

C23H26N2O4 — CID 42896690

IUPACmethyl 1-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)C(NC(=O)c1ccc(C)cc1)C(C)C
InChIInChI=1S/C23H26N2O4/c1-14(2)20(24-21(26)16-7-5-15(3)6-8-16)22(27)25-12-11-17-13-18(23(28)29-4)9-10-19(17)25/h5-10,13-14,20H,11-12H2,1-4H3,(H,24,26)
InChIKeyRNUYUXUARJJAAZ-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.13
Rot. Bonds5

About methyl 1-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]-2,3-dihydroindole-5-carboxylate

methyl 1-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]-2,3-dihydroindole-5-carboxylate (PubChem CID 42896690) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is methyl 1-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]-2,3-dihydroindole-5-carboxylate
PubChem CID42896690
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Namemethyl 1-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)C(NC(=O)c1ccc(C)cc1)C(C)C
InChIInChI=1S/C23H26N2O4/c1-14(2)20(24-21(26)16-7-5-15(3)6-8-16)22(27)25-12-11-17-13-18(23(28)29-4)9-10-19(17)25/h5-10,13-14,20H,11-12H2,1-4H3,(H,24,26)
InChIKeyRNUYUXUARJJAAZ-UHFFFAOYSA-N
XLogP3.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]-2,3-dihydroindole-5-carboxylate?
The IUPAC name of methyl 1-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]-2,3-dihydroindole-5-carboxylate (CID 42896690) is methyl 1-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for methyl 1-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for methyl 1-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]-2,3-dihydroindole-5-carboxylate is COC(=O)c1ccc2c(c1)CCN2C(=O)C(NC(=O)c1ccc(C)cc1)C(C)C.
What is the InChIKey of methyl 1-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]-2,3-dihydroindole-5-carboxylate?
The InChIKey is RNUYUXUARJJAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-14(2)20(24-21(26)16-7-5-15(3)6-8-16)22(27)25-12-11-17-13-18(23(28)29-4)9-10-19(17)25/h5-10,13-14,20H,11-12H2,1-4H3,(H,24,26).
What are the key properties of methyl 1-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]-2,3-dihydroindole-5-carboxylate?
methyl 1-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]-2,3-dihydroindole-5-carboxylate has a molecular weight of 394.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 42896690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).