ethyl 2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]acetate

C22H25N3O4 — CID 53099745

IUPACethyl 2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCc1ccc2c(c1)N(C(=O)c1cccc(C)c1)CC2
InChIInChI=1S/C22H25N3O4/c1-3-29-20(26)14-24-22(28)23-13-16-7-8-17-9-10-25(19(17)12-16)21(27)18-6-4-5-15(2)11-18/h4-8,11-12H,3,9-10,13-14H2,1-2H3,(H2,23,24,28)
InChIKeyPXRCTVGFRBHZCH-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.56
Rot. Bonds6

About ethyl 2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]acetate

ethyl 2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]acetate (PubChem CID 53099745) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is ethyl 2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]acetate
PubChem CID53099745
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Nameethyl 2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCc1ccc2c(c1)N(C(=O)c1cccc(C)c1)CC2
InChIInChI=1S/C22H25N3O4/c1-3-29-20(26)14-24-22(28)23-13-16-7-8-17-9-10-25(19(17)12-16)21(27)18-6-4-5-15(2)11-18/h4-8,11-12H,3,9-10,13-14H2,1-2H3,(H2,23,24,28)
InChIKeyPXRCTVGFRBHZCH-UHFFFAOYSA-N
XLogP2.56
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]acetate with MolForge

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Related Compounds

1-(2-ethylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099740
1-(4-methoxyphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099728
1-(4-chlorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099712
1-(3-fluoro-4-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099751
1-(2,5-difluorophenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099754
1-(5-chloro-2-methylphenyl)-3-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]urea
CID 53099726
N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]methanesulfonamide
CID 53102574
5-bromo-N-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]furan-2-carboxamide
CID 53099329
ethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate
CID 53090008
methyl 4-chloro-2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]benzoate
CID 53099746
ethyl 2-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]benzoate
CID 53099448
1-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(2-phenylethyl)urea
CID 53099481

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]acetate (CID 53099745) is ethyl 2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCc1ccc2c(c1)N(C(=O)c1cccc(C)c1)CC2.
What is the InChIKey of ethyl 2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]acetate?
The InChIKey is PXRCTVGFRBHZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-3-29-20(26)14-24-22(28)23-13-16-7-8-17-9-10-25(19(17)12-16)21(27)18-6-4-5-15(2)11-18/h4-8,11-12H,3,9-10,13-14H2,1-2H3,(H2,23,24,28).
What are the key properties of ethyl 2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]acetate?
ethyl 2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]acetate has a molecular weight of 395.46 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]acetate is sourced from PubChem (CID 53099745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).