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

C17H23N3O2 — CID 18162740

IUPAC4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
SMILESCCCNC(=O)CNC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H23N3O2/c1-2-10-18-17(22)12-20-16(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,18,22)(H,20,21)
InChIKeyKIOJRMHRBZRPBG-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.13
Rot. Bonds8

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

4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide (PubChem CID 18162740) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
PubChem CID18162740
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide
SMILESCCCNC(=O)CNC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C17H23N3O2/c1-2-10-18-17(22)12-20-16(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,18,22)(H,20,21)
InChIKeyKIOJRMHRBZRPBG-UHFFFAOYSA-N
XLogP2.13
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-[2-(ethylamino)ethyl]-4-(1H-indol-3-yl)butanamide
CID 62658030
[2-oxo-2-(propylamino)ethyl] 4-(1H-indol-3-yl)butanoate
CID 4024790
N-[3-(ethylamino)propyl]-4-(1H-indol-3-yl)butanamide
CID 43601757
N-[2-(tert-butylamino)-2-oxoethyl]-4-(1H-indol-3-yl)butanamide
CID 51222112
N-(2-ethoxyethyl)-4-(1H-indol-3-yl)butanamide
CID 43591663
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(1H-indol-3-yl)acetate
CID 9017656
(Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide
CID 171117124
2-[4-(1H-indol-3-yl)butanoylamino]-N-propylbenzamide
CID 34748373
(7Z,10Z,13Z,16Z)-N-[2-(1H-indol-3-yl)ethyl]docosa-7,10,13,16-tetraenamide
CID 171117139
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
N-but-2-ynyl-4-(1H-indol-3-yl)butanamide
CID 115866866

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide (CID 18162740) is 4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide is CCCNC(=O)CNC(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide?
The InChIKey is KIOJRMHRBZRPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-10-18-17(22)12-20-16(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,18,22)(H,20,21).
What are the key properties of 4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide?
4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide has a molecular weight of 301.39 g/mol, XLogP of 2.13, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]butanamide is sourced from PubChem (CID 18162740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).