N-[3-(1H-indol-3-yl)-1-oxobutan-2-yl]propanamide

C15H18N2O2 — CID 142243470

IUPACN-[3-(1H-indol-3-yl)-1-oxobutan-2-yl]propanamide
SMILESCCC(=O)NC(C=O)C(C)c1c[nH]c2ccccc12
InChIInChI=1S/C15H18N2O2/c1-3-15(19)17-14(9-18)10(2)12-8-16-13-7-5-4-6-11(12)13/h4-10,14,16H,3H2,1-2H3,(H,17,19)
InChIKeyPJBDLZPUGCICJK-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.37
Rot. Bonds5

About N-[3-(1H-indol-3-yl)-1-oxobutan-2-yl]propanamide

N-[3-(1H-indol-3-yl)-1-oxobutan-2-yl]propanamide (PubChem CID 142243470) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)-1-oxobutan-2-yl]propanamide.

Molecular Properties

Compound NameN-[3-(1H-indol-3-yl)-1-oxobutan-2-yl]propanamide
PubChem CID142243470
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[3-(1H-indol-3-yl)-1-oxobutan-2-yl]propanamide
SMILESCCC(=O)NC(C=O)C(C)c1c[nH]c2ccccc12
InChIInChI=1S/C15H18N2O2/c1-3-15(19)17-14(9-18)10(2)12-8-16-13-7-5-4-6-11(12)13/h4-10,14,16H,3H2,1-2H3,(H,17,19)
InChIKeyPJBDLZPUGCICJK-UHFFFAOYSA-N
XLogP2.37
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(1H-indol-3-yl)butanal
CID 174494789
ethyl (2R,3R)-2-hydroxy-3-(1H-indol-3-yl)butanoate
CID 14735622
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
3-(1H-indol-3-yl)-3-phenyl-N-propylpropanamide
CID 3394392
(3S)-3-(1H-indol-3-yl)pentanoic acid
CID 7446864
3-(1H-indol-3-yl)pentanoic acid
CID 12616752
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
CID 24599762
methyl 3-(1H-indol-3-yl)-2-nitrobutanoate
CID 2853837
2-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 116848099
2-(1H-indol-3-yl)-4-methylpentanoic acid
CID 83644825
3-propan-2-yl-1H-indole
CID 12534824

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)-1-oxobutan-2-yl]propanamide?
The IUPAC name of N-[3-(1H-indol-3-yl)-1-oxobutan-2-yl]propanamide (CID 142243470) is N-[3-(1H-indol-3-yl)-1-oxobutan-2-yl]propanamide.
What is the SMILES notation for N-[3-(1H-indol-3-yl)-1-oxobutan-2-yl]propanamide?
The canonical SMILES for N-[3-(1H-indol-3-yl)-1-oxobutan-2-yl]propanamide is CCC(=O)NC(C=O)C(C)c1c[nH]c2ccccc12.
What is the InChIKey of N-[3-(1H-indol-3-yl)-1-oxobutan-2-yl]propanamide?
The InChIKey is PJBDLZPUGCICJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-15(19)17-14(9-18)10(2)12-8-16-13-7-5-4-6-11(12)13/h4-10,14,16H,3H2,1-2H3,(H,17,19).
What are the key properties of N-[3-(1H-indol-3-yl)-1-oxobutan-2-yl]propanamide?
N-[3-(1H-indol-3-yl)-1-oxobutan-2-yl]propanamide has a molecular weight of 258.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-3-yl)-1-oxobutan-2-yl]propanamide is sourced from PubChem (CID 142243470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).