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

C12H14N2O2 — CID 115162786

IUPAC4-hydroxy-N-(1H-indol-3-yl)butanamide
SMILESO=C(CCCO)Nc1c[nH]c2ccccc12
InChIInChI=1S/C12H14N2O2/c15-7-3-6-12(16)14-11-8-13-10-5-2-1-4-9(10)11/h1-2,4-5,8,13,15H,3,6-7H2,(H,14,16)
InChIKeyMDUIJFJIPNRMLM-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.88
Rot. Bonds4

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

4-hydroxy-N-(1H-indol-3-yl)butanamide (PubChem CID 115162786) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-hydroxy-N-(1H-indol-3-yl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(1H-indol-3-yl)butanamide
PubChem CID115162786
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-hydroxy-N-(1H-indol-3-yl)butanamide
SMILESO=C(CCCO)Nc1c[nH]c2ccccc12
InChIInChI=1S/C12H14N2O2/c15-7-3-6-12(16)14-11-8-13-10-5-2-1-4-9(10)11/h1-2,4-5,8,13,15H,3,6-7H2,(H,14,16)
InChIKeyMDUIJFJIPNRMLM-UHFFFAOYSA-N
XLogP1.88
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-3-yl)butanamide;dihydrochloride
CID 142898662
1H-indol-3-ylcarbamic acid
CID 66672709
1,1-bis(2-hydroxyethyl)-3-(1H-indol-3-yl)urea
CID 7615867
4-(1H-indol-3-yl)-N-naphthalen-1-ylbutanamide
CID 26087317
1-ethyl-3-(1H-indol-3-yl)urea
CID 7615926
1-benzyl-3-(1H-indol-3-yl)urea
CID 7615984
1-(aminomethyl)-N-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 115182528
1-benzyl-1-(2-hydroxyethyl)-3-(1H-indol-3-yl)urea
CID 7615873
N-[2-(hydroxymethyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 60653710
3-(1H-indol-3-yl)-N-(2-iodophenyl)propanamide
CID 7740467
N-(1H-indol-3-yl)-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide
CID 46963319
N-(5-chloro-2-hydroxyphenyl)-4-(1H-indol-3-yl)butanamide
CID 55369407

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1H-indol-3-yl)butanamide?
The IUPAC name of 4-hydroxy-N-(1H-indol-3-yl)butanamide (CID 115162786) is 4-hydroxy-N-(1H-indol-3-yl)butanamide.
What is the SMILES notation for 4-hydroxy-N-(1H-indol-3-yl)butanamide?
The canonical SMILES for 4-hydroxy-N-(1H-indol-3-yl)butanamide is O=C(CCCO)Nc1c[nH]c2ccccc12.
What is the InChIKey of 4-hydroxy-N-(1H-indol-3-yl)butanamide?
The InChIKey is MDUIJFJIPNRMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-7-3-6-12(16)14-11-8-13-10-5-2-1-4-9(10)11/h1-2,4-5,8,13,15H,3,6-7H2,(H,14,16).
What are the key properties of 4-hydroxy-N-(1H-indol-3-yl)butanamide?
4-hydroxy-N-(1H-indol-3-yl)butanamide has a molecular weight of 218.26 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1H-indol-3-yl)butanamide is sourced from PubChem (CID 115162786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).