ethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate

C17H23N3O4 — CID 53090008

IUPACethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCc1ccc2c(c1)CCN2C(=O)CC
InChIInChI=1S/C17H23N3O4/c1-3-15(21)20-8-7-13-9-12(5-6-14(13)20)10-18-17(23)19-11-16(22)24-4-2/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H2,18,19,23)
InChIKeyLKHBWDVSUJQVLX-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.35
Rot. Bonds6

About ethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate

ethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate (PubChem CID 53090008) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is ethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate
PubChem CID53090008
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Nameethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCc1ccc2c(c1)CCN2C(=O)CC
InChIInChI=1S/C17H23N3O4/c1-3-15(21)20-8-7-13-9-12(5-6-14(13)20)10-18-17(23)19-11-16(22)24-4-2/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H2,18,19,23)
InChIKeyLKHBWDVSUJQVLX-UHFFFAOYSA-N
XLogP1.35
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]propanoate
CID 53090031
1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea
CID 53090025
1-[(2R)-butan-2-yl]-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
CID 95074914
3-methyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]butanamide
CID 53093588
ethyl 2-[[1-(3-methylbenzoyl)-2,3-dihydroindol-6-yl]methylcarbamoylamino]acetate
CID 53099745
1-(3-methoxyphenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
CID 53089967
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]furan-2-carboxamide
CID 53093574
3,4,5-trimethoxy-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzamide
CID 53043786
1-(1,3-benzodioxol-5-yl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]urea
CID 53090017
N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]propane-1-sulfonamide
CID 53092468
ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate
CID 110479362
3,4-dimethyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
CID 53092481

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate (CID 53090008) is ethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCc1ccc2c(c1)CCN2C(=O)CC.
What is the InChIKey of ethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate?
The InChIKey is LKHBWDVSUJQVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-3-15(21)20-8-7-13-9-12(5-6-14(13)20)10-18-17(23)19-11-16(22)24-4-2/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H2,18,19,23).
What are the key properties of ethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate?
ethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate has a molecular weight of 333.39 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate is sourced from PubChem (CID 53090008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).