[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-(1H-indol-3-yl)butanoate

C24H28N2O3 — CID 9416154

IUPAC[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-(1H-indol-3-yl)butanoate
SMILESCCN(CC)C(=O)[C@@H](OC(=O)CCCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C24H28N2O3/c1-3-26(4-2)24(28)23(18-11-6-5-7-12-18)29-22(27)16-10-13-19-17-25-21-15-9-8-14-20(19)21/h5-9,11-12,14-15,17,23,25H,3-4,10,13,16H2,1-2H3/t23-/m0/s1
InChIKeyWMLMVEXDCFLSEG-QHCPKHFHSA-N
MW392.50 g/mol
LogP4.64
Rot. Bonds9

About [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-(1H-indol-3-yl)butanoate

[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-(1H-indol-3-yl)butanoate (PubChem CID 9416154) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-(1H-indol-3-yl)butanoate.

Molecular Properties

Compound Name[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-(1H-indol-3-yl)butanoate
PubChem CID9416154
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-(1H-indol-3-yl)butanoate
SMILESCCN(CC)C(=O)[C@@H](OC(=O)CCCc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C24H28N2O3/c1-3-26(4-2)24(28)23(18-11-6-5-7-12-18)29-22(27)16-10-13-19-17-25-21-15-9-8-14-20(19)21/h5-9,11-12,14-15,17,23,25H,3-4,10,13,16H2,1-2H3/t23-/m0/s1
InChIKeyWMLMVEXDCFLSEG-QHCPKHFHSA-N
XLogP4.64
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-morpholin-4-yl-2-oxo-1-phenylethyl) 4-(1H-indol-3-yl)butanoate
CID 45353288
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
methyl 5-[ethyl-[2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoate
CID 23336475
ethyl 10-(1H-indol-3-yl)-7-oxodecanoate
CID 58248748
6-(1H-indol-3-yl)hexan-3-one
CID 58575746
4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761
disodium;hydride;4-(1H-indol-3-yl)butanoic acid
CID 174726095
N-[2-(dimethylamino)-2-phenylethyl]-4-(1H-indol-3-yl)butanamide
CID 51153675
[(2S)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate
CID 7659203
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 4-(1H-indol-3-yl)butanoate
CID 135739421
4-(1H-indol-3-yl)butanamide
CID 588715
[1-(4-methylanilino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate
CID 18271241

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-(1H-indol-3-yl)butanoate?
The IUPAC name of [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-(1H-indol-3-yl)butanoate (CID 9416154) is [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-(1H-indol-3-yl)butanoate.
What is the SMILES notation for [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-(1H-indol-3-yl)butanoate?
The canonical SMILES for [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-(1H-indol-3-yl)butanoate is CCN(CC)C(=O)[C@@H](OC(=O)CCCc1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-(1H-indol-3-yl)butanoate?
The InChIKey is WMLMVEXDCFLSEG-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-3-26(4-2)24(28)23(18-11-6-5-7-12-18)29-22(27)16-10-13-19-17-25-21-15-9-8-14-20(19)21/h5-9,11-12,14-15,17,23,25H,3-4,10,13,16H2,1-2H3/t23-/m0/s1.
What are the key properties of [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-(1H-indol-3-yl)butanoate?
[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-(1H-indol-3-yl)butanoate has a molecular weight of 392.50 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(diethylamino)-2-oxo-1-phenylethyl] 4-(1H-indol-3-yl)butanoate is sourced from PubChem (CID 9416154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).