(2-naphthalen-1-yloxy-2-oxoethyl) 4-(1H-indol-3-yl)butanoate

C24H21NO4 — CID 174814617

IUPAC(2-naphthalen-1-yloxy-2-oxoethyl) 4-(1H-indol-3-yl)butanoate
SMILESO=C(CCCc1c[nH]c2ccccc12)OCC(=O)Oc1cccc2ccccc12
InChIInChI=1S/C24H21NO4/c26-23(14-6-9-18-15-25-21-12-4-3-10-19(18)21)28-16-24(27)29-22-13-5-8-17-7-1-2-11-20(17)22/h1-5,7-8,10-13,15,25H,6,9,14,16H2
InChIKeyNMHAKAWQXPFBSP-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.79
Rot. Bonds7

About (2-naphthalen-1-yloxy-2-oxoethyl) 4-(1H-indol-3-yl)butanoate

(2-naphthalen-1-yloxy-2-oxoethyl) 4-(1H-indol-3-yl)butanoate (PubChem CID 174814617) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is (2-naphthalen-1-yloxy-2-oxoethyl) 4-(1H-indol-3-yl)butanoate.

Molecular Properties

Compound Name(2-naphthalen-1-yloxy-2-oxoethyl) 4-(1H-indol-3-yl)butanoate
PubChem CID174814617
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name(2-naphthalen-1-yloxy-2-oxoethyl) 4-(1H-indol-3-yl)butanoate
SMILESO=C(CCCc1c[nH]c2ccccc12)OCC(=O)Oc1cccc2ccccc12
InChIInChI=1S/C24H21NO4/c26-23(14-6-9-18-15-25-21-12-4-3-10-19(18)21)28-16-24(27)29-22-13-5-8-17-7-1-2-11-20(17)22/h1-5,7-8,10-13,15,25H,6,9,14,16H2
InChIKeyNMHAKAWQXPFBSP-UHFFFAOYSA-N
XLogP4.79
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659140
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2434282
[2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate
CID 4024790
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 4-(1H-indol-3-yl)butanoate
CID 9016665
[2-(2,6-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 4175915
4-(1H-indol-3-yl)butanamide
CID 588715
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2475685
ethyl 10-(1H-indol-3-yl)-7-oxodecanoate
CID 58248748
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2495066
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659172

Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-1-yloxy-2-oxoethyl) 4-(1H-indol-3-yl)butanoate?
The IUPAC name of (2-naphthalen-1-yloxy-2-oxoethyl) 4-(1H-indol-3-yl)butanoate (CID 174814617) is (2-naphthalen-1-yloxy-2-oxoethyl) 4-(1H-indol-3-yl)butanoate.
What is the SMILES notation for (2-naphthalen-1-yloxy-2-oxoethyl) 4-(1H-indol-3-yl)butanoate?
The canonical SMILES for (2-naphthalen-1-yloxy-2-oxoethyl) 4-(1H-indol-3-yl)butanoate is O=C(CCCc1c[nH]c2ccccc12)OCC(=O)Oc1cccc2ccccc12.
What is the InChIKey of (2-naphthalen-1-yloxy-2-oxoethyl) 4-(1H-indol-3-yl)butanoate?
The InChIKey is NMHAKAWQXPFBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c26-23(14-6-9-18-15-25-21-12-4-3-10-19(18)21)28-16-24(27)29-22-13-5-8-17-7-1-2-11-20(17)22/h1-5,7-8,10-13,15,25H,6,9,14,16H2.
What are the key properties of (2-naphthalen-1-yloxy-2-oxoethyl) 4-(1H-indol-3-yl)butanoate?
(2-naphthalen-1-yloxy-2-oxoethyl) 4-(1H-indol-3-yl)butanoate has a molecular weight of 387.44 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-1-yloxy-2-oxoethyl) 4-(1H-indol-3-yl)butanoate is sourced from PubChem (CID 174814617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).