methyl 1-(3-phenylpropanoyl)indole-5-carboxylate

C19H17NO3 — CID 101462418

IUPACmethyl 1-(3-phenylpropanoyl)indole-5-carboxylate
SMILESCOC(=O)c1ccc2c(ccn2C(=O)CCc2ccccc2)c1
InChIInChI=1S/C19H17NO3/c1-23-19(22)16-8-9-17-15(13-16)11-12-20(17)18(21)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-13H,7,10H2,1H3
InChIKeyMAYAFVYTHQKJAO-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.70
Rot. Bonds4

About methyl 1-(3-phenylpropanoyl)indole-5-carboxylate

methyl 1-(3-phenylpropanoyl)indole-5-carboxylate (PubChem CID 101462418) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 1-(3-phenylpropanoyl)indole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-phenylpropanoyl)indole-5-carboxylate
PubChem CID101462418
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Namemethyl 1-(3-phenylpropanoyl)indole-5-carboxylate
SMILESCOC(=O)c1ccc2c(ccn2C(=O)CCc2ccccc2)c1
InChIInChI=1S/C19H17NO3/c1-23-19(22)16-8-9-17-15(13-16)11-12-20(17)18(21)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-13H,7,10H2,1H3
InChIKeyMAYAFVYTHQKJAO-UHFFFAOYSA-N
XLogP3.70
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-oxo-1-(2-phenylethylamino)quinoline-6-carboxylate
CID 141344548
methyl 1-hexa-2,4-dien-3-ylindole-5-carboxylate
CID 123503388
methyl 1-(pyridine-2-carbonyl)indole-5-carboxylate
CID 175014240
methyl 4-(3-phenylpropanoyl)benzoate
CID 11184731
methyl 1-[(3-methylphenyl)methyl]indole-5-carboxylate
CID 156703114
methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate
CID 1070610
methyl 1-(2-methoxyethyl)indole-5-carboxylate
CID 67169484
methyl 3-(3-phenylpropanoyloxymethyl)benzoate
CID 78759984
methyl 1-benzyl-2-(2-hydroxyethyl)indole-6-carboxylate
CID 90133591
3-(4-methoxycarbonylphenyl)propanoic acid
CID 22716688
methyl 1-[2-(dimethylamino)ethyl]indole-5-carboxylate
CID 118096526
N-benzyl-5-methoxyindole-1-carboxamide
CID 11055060

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-phenylpropanoyl)indole-5-carboxylate?
The IUPAC name of methyl 1-(3-phenylpropanoyl)indole-5-carboxylate (CID 101462418) is methyl 1-(3-phenylpropanoyl)indole-5-carboxylate.
What is the SMILES notation for methyl 1-(3-phenylpropanoyl)indole-5-carboxylate?
The canonical SMILES for methyl 1-(3-phenylpropanoyl)indole-5-carboxylate is COC(=O)c1ccc2c(ccn2C(=O)CCc2ccccc2)c1.
What is the InChIKey of methyl 1-(3-phenylpropanoyl)indole-5-carboxylate?
The InChIKey is MAYAFVYTHQKJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-23-19(22)16-8-9-17-15(13-16)11-12-20(17)18(21)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-13H,7,10H2,1H3.
What are the key properties of methyl 1-(3-phenylpropanoyl)indole-5-carboxylate?
methyl 1-(3-phenylpropanoyl)indole-5-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-phenylpropanoyl)indole-5-carboxylate is sourced from PubChem (CID 101462418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).