[2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate

C17H22N2O3 — CID 4024790

IUPAC[2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate
SMILESCCCNC(=O)COC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H22N2O3/c1-2-10-18-16(20)12-22-17(21)9-5-6-13-11-19-15-8-4-3-7-14(13)15/h3-4,7-8,11,19H,2,5-6,9-10,12H2,1H3,(H,18,20)
InChIKeyLBDZOTBVLDIJKU-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.56
Rot. Bonds8

About [2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate

[2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate (PubChem CID 4024790) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is [2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate.

Molecular Properties

Compound Name[2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate
PubChem CID4024790
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name[2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate
SMILESCCCNC(=O)COC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H22N2O3/c1-2-10-18-16(20)12-22-17(21)9-5-6-13-11-19-15-8-4-3-7-14(13)15/h3-4,7-8,11,19H,2,5-6,9-10,12H2,1H3,(H,18,20)
InChIKeyLBDZOTBVLDIJKU-UHFFFAOYSA-N
XLogP2.56
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2495066
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(1H-indol-3-yl)acetate
CID 9017656
4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 18162740
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 4-(1H-indol-3-yl)butanoate
CID 9016665
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7659140
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2475685
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 41427385
ethyl 2-[[2-[4-(1H-indol-3-yl)butanoyloxy]acetyl]amino]benzoate
CID 7662484
[2-(2,6-dichloroanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 4175915
[2-(4-bromoanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 2346960
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 7958788

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate?
The IUPAC name of [2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate (CID 4024790) is [2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate.
What is the SMILES notation for [2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate?
The canonical SMILES for [2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate is CCCNC(=O)COC(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of [2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate?
The InChIKey is LBDZOTBVLDIJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-2-10-18-16(20)12-22-17(21)9-5-6-13-11-19-15-8-4-3-7-14(13)15/h3-4,7-8,11,19H,2,5-6,9-10,12H2,1H3,(H,18,20).
What are the key properties of [2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate?
[2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate has a molecular weight of 302.37 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate is sourced from PubChem (CID 4024790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).