4-(1H-indol-3-yl)butanamide

C12H14N2O — CID 588715

IUPAC4-(1H-indol-3-yl)butanamide
SMILESNC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C12H14N2O/c13-12(15)7-3-4-9-8-14-11-6-2-1-5-10(9)11/h1-2,5-6,8,14H,3-4,7H2,(H2,13,15)
InChIKeyOIIPKTMVZHTWNH-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.98
Rot. Bonds4

About 4-(1H-indol-3-yl)butanamide

4-(1H-indol-3-yl)butanamide (PubChem CID 588715) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)butanamide
PubChem CID588715
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-(1H-indol-3-yl)butanamide
SMILESNC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C12H14N2O/c13-12(15)7-3-4-9-8-14-11-6-2-1-5-10(9)11/h1-2,5-6,8,14H,3-4,7H2,(H2,13,15)
InChIKeyOIIPKTMVZHTWNH-UHFFFAOYSA-N
XLogP1.98
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

S-amino 4-(1H-indol-3-yl)butanethioate
CID 87254354
disodium;hydride;4-(1H-indol-3-yl)butanoic acid
CID 174726095
1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione
CID 58248576
6-(1H-indol-3-yl)hexan-3-one
CID 58575746
4-(1H-indol-3-yl)-1-phenylbutan-1-one
CID 101437539
2-aminoethanol;4-(1H-indol-3-yl)butanoic acid
CID 174964021
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
1-(2,6-dihydroxyphenyl)-4-(1H-indol-3-yl)butan-1-one
CID 149029934
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
methyl 2-[4-(1H-indol-3-yl)butanoylamino]propanoate
CID 60638102

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)butanamide?
The IUPAC name of 4-(1H-indol-3-yl)butanamide (CID 588715) is 4-(1H-indol-3-yl)butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)butanamide is NC(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of 4-(1H-indol-3-yl)butanamide?
The InChIKey is OIIPKTMVZHTWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-12(15)7-3-4-9-8-14-11-6-2-1-5-10(9)11/h1-2,5-6,8,14H,3-4,7H2,(H2,13,15).
What are the key properties of 4-(1H-indol-3-yl)butanamide?
4-(1H-indol-3-yl)butanamide has a molecular weight of 202.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 588715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).