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

C18H25N3O4 — CID 53090031

IUPACethyl 3-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)NCc1ccc2c(c1)CCN2C(=O)CC
InChIInChI=1S/C18H25N3O4/c1-3-16(22)21-10-8-14-11-13(5-6-15(14)21)12-20-18(24)19-9-7-17(23)25-4-2/h5-6,11H,3-4,7-10,12H2,1-2H3,(H2,19,20,24)
InChIKeyFMXJSBLBEHIKPD-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.74
Rot. Bonds7

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

ethyl 3-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]propanoate (PubChem CID 53090031) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is ethyl 3-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]propanoate
PubChem CID53090031
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Nameethyl 3-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]propanoate
SMILESCCOC(=O)CCNC(=O)NCc1ccc2c(c1)CCN2C(=O)CC
InChIInChI=1S/C18H25N3O4/c1-3-16(22)21-10-8-14-11-13(5-6-15(14)21)12-20-18(24)19-9-7-17(23)25-4-2/h5-6,11H,3-4,7-10,12H2,1-2H3,(H2,19,20,24)
InChIKeyFMXJSBLBEHIKPD-UHFFFAOYSA-N
XLogP1.74
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]acetate
CID 53090008
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
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
3,4-dimethyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
CID 53092481
ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate
CID 110479362
ethyl 3-[(3-fluorophenyl)methylcarbamoylamino]propanoate
CID 108898601

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]propanoate?
The IUPAC name of ethyl 3-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]propanoate (CID 53090031) is ethyl 3-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]propanoate.
What is the SMILES notation for ethyl 3-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]propanoate?
The canonical SMILES for ethyl 3-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]propanoate is CCOC(=O)CCNC(=O)NCc1ccc2c(c1)CCN2C(=O)CC.
What is the InChIKey of ethyl 3-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]propanoate?
The InChIKey is FMXJSBLBEHIKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-3-16(22)21-10-8-14-11-13(5-6-15(14)21)12-20-18(24)19-9-7-17(23)25-4-2/h5-6,11H,3-4,7-10,12H2,1-2H3,(H2,19,20,24).
What are the key properties of ethyl 3-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]propanoate?
ethyl 3-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]propanoate has a molecular weight of 347.42 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1-propanoyl-2,3-dihydroindol-5-yl)methylcarbamoylamino]propanoate is sourced from PubChem (CID 53090031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).