N-(3-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide

C16H22N2O2 — CID 115884530

IUPACN-(3-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
SMILESCC(O)C(C)(C)NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C16H22N2O2/c1-11(19)16(2,3)18-15(20)9-8-12-10-17-14-7-5-4-6-13(12)14/h4-7,10-11,17,19H,8-9H2,1-3H3,(H,18,20)
InChIKeyTUPBBZLAKBJEHR-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.38
Rot. Bonds5

About N-(3-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide

N-(3-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide (PubChem CID 115884530) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
PubChem CID115884530
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(3-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
SMILESCC(O)C(C)(C)NC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C16H22N2O2/c1-11(19)16(2,3)18-15(20)9-8-12-10-17-14-7-5-4-6-13(12)14/h4-7,10-11,17,19H,8-9H2,1-3H3,(H,18,20)
InChIKeyTUPBBZLAKBJEHR-UHFFFAOYSA-N
XLogP2.38
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(1H-indol-3-yl)propanoylamino]-3-methylbutanoic acid
CID 64673297
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
1-(1H-indol-3-yl)-4-methylpentan-3-one
CID 154964513
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
N-(2-amino-3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 64539569
2-[3-(1H-indol-3-yl)propanoylamino]-N-methylpropanamide
CID 47315730
N-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 41273168
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)propyl]propanamide
CID 70207021
3-(1H-indol-3-yl)-N-(1-methoxypropan-2-yl)propanamide
CID 18074487
3-(1H-indol-3-yl)-N-[(2S)-pent-4-en-2-yl]propanamide
CID 97086843
N-(4-hydroxy-2-methylbutyl)-3-(1H-indol-3-yl)propanamide
CID 66109220

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(3-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide (CID 115884530) is N-(3-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(3-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(3-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide is CC(O)C(C)(C)NC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-(3-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide?
The InChIKey is TUPBBZLAKBJEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(19)16(2,3)18-15(20)9-8-12-10-17-14-7-5-4-6-13(12)14/h4-7,10-11,17,19H,8-9H2,1-3H3,(H,18,20).
What are the key properties of N-(3-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide?
N-(3-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide has a molecular weight of 274.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylbutan-2-yl)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 115884530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).