(2-amino-2-oxo-1-phenylethyl) 1-propylindole-2-carboxylate

C20H20N2O3 — CID 166219350

IUPAC(2-amino-2-oxo-1-phenylethyl) 1-propylindole-2-carboxylate
SMILESCCCn1c(C(=O)OC(C(N)=O)c2ccccc2)cc2ccccc21
InChIInChI=1S/C20H20N2O3/c1-2-12-22-16-11-7-6-10-15(16)13-17(22)20(24)25-18(19(21)23)14-8-4-3-5-9-14/h3-11,13,18H,2,12H2,1H3,(H2,21,23)
InChIKeyPJRWFVSFDICMMZ-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.43
Rot. Bonds6

About (2-amino-2-oxo-1-phenylethyl) 1-propylindole-2-carboxylate

(2-amino-2-oxo-1-phenylethyl) 1-propylindole-2-carboxylate (PubChem CID 166219350) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2-amino-2-oxo-1-phenylethyl) 1-propylindole-2-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxo-1-phenylethyl) 1-propylindole-2-carboxylate
PubChem CID166219350
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(2-amino-2-oxo-1-phenylethyl) 1-propylindole-2-carboxylate
SMILESCCCn1c(C(=O)OC(C(N)=O)c2ccccc2)cc2ccccc21
InChIInChI=1S/C20H20N2O3/c1-2-12-22-16-11-7-6-10-15(16)13-17(22)20(24)25-18(19(21)23)14-8-4-3-5-9-14/h3-11,13,18H,2,12H2,1H3,(H2,21,23)
InChIKeyPJRWFVSFDICMMZ-UHFFFAOYSA-N
XLogP3.43
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-2-amino-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate
CID 41471077
propan-2-yl 1-(2-hydroxy-3-oxo-3-propan-2-yloxypropyl)indole-2-carboxylate
CID 174855601
4-amino-3-[[4-amino-2-[(1-decylindole-2-carbonyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoic acid
CID 67564709
ethyl 1-prop-2-enylindole-2-carboxylate
CID 10398929
1-(3-chloropropyl)indole-2-carboxylic acid
CID 23510279
ethyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]indole-2-carboxylate
CID 71206188
ethyl 1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylate
CID 90082821
ethyl 1-[2-(3-methoxyphenyl)ethyl]indole-2-carboxylate
CID 68856722
(2-amino-2-oxo-1-phenylethyl) 2,5-dimethylbenzoate
CID 42886743
ethyl 1-[(4-methylphenyl)methyl]indole-2-carboxylate
CID 155536959
methyl (2S)-3-methyl-2-[(1-pentylindole-2-carbonyl)amino]butanoate
CID 155540156
1-(ethoxymethyl)indole-2-carboxylic acid
CID 71445591

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxo-1-phenylethyl) 1-propylindole-2-carboxylate?
The IUPAC name of (2-amino-2-oxo-1-phenylethyl) 1-propylindole-2-carboxylate (CID 166219350) is (2-amino-2-oxo-1-phenylethyl) 1-propylindole-2-carboxylate.
What is the SMILES notation for (2-amino-2-oxo-1-phenylethyl) 1-propylindole-2-carboxylate?
The canonical SMILES for (2-amino-2-oxo-1-phenylethyl) 1-propylindole-2-carboxylate is CCCn1c(C(=O)OC(C(N)=O)c2ccccc2)cc2ccccc21.
What is the InChIKey of (2-amino-2-oxo-1-phenylethyl) 1-propylindole-2-carboxylate?
The InChIKey is PJRWFVSFDICMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-2-12-22-16-11-7-6-10-15(16)13-17(22)20(24)25-18(19(21)23)14-8-4-3-5-9-14/h3-11,13,18H,2,12H2,1H3,(H2,21,23).
What are the key properties of (2-amino-2-oxo-1-phenylethyl) 1-propylindole-2-carboxylate?
(2-amino-2-oxo-1-phenylethyl) 1-propylindole-2-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxo-1-phenylethyl) 1-propylindole-2-carboxylate is sourced from PubChem (CID 166219350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).