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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Related Compounds

methyl 1-[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]-2,3-dihydroindole-5-carboxylate
CID 55514242
methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917334
N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 2125179
methyl 1-[2-(3-methylphenoxy)propanoyl]-2,3-dihydroindole-5-carboxylate
CID 134033414
methyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-2,3-dihydroindole-5-carboxylate
CID 71874787
[1-(1-acetyl-2,3-dihydroindol-5-yl)-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate
CID 42922160
4-methyl-N-[3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxobutan-2-yl]benzamide
CID 18159891
methyl 2-[[1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]carbamoylamino]-4-methylbenzoate
CID 46383418
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
methyl 1-(2-phenoxy-2-phenylacetyl)-2,3-dihydroindole-5-carboxylate
CID 55758876
2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110713868
N-[1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55435428

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).