N-[1-(1H-indol-3-yl)propan-2-yl]butanamide

C15H20N2O — CID 5022905

IUPACN-[1-(1H-indol-3-yl)propan-2-yl]butanamide
SMILESCCCC(=O)NC(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2O/c1-3-6-15(18)17-11(2)9-12-10-16-14-8-5-4-7-13(12)14/h4-5,7-8,10-11,16H,3,6,9H2,1-2H3,(H,17,18)
InChIKeyATXUUJPHRAAOBW-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.02
Rot. Bonds5

About N-[1-(1H-indol-3-yl)propan-2-yl]butanamide

N-[1-(1H-indol-3-yl)propan-2-yl]butanamide (PubChem CID 5022905) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)propan-2-yl]butanamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)propan-2-yl]butanamide
PubChem CID5022905
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-[1-(1H-indol-3-yl)propan-2-yl]butanamide
SMILESCCCC(=O)NC(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2O/c1-3-6-15(18)17-11(2)9-12-10-16-14-8-5-4-7-13(12)14/h4-5,7-8,10-11,16H,3,6,9H2,1-2H3,(H,17,18)
InChIKeyATXUUJPHRAAOBW-UHFFFAOYSA-N
XLogP3.02
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 142880124
2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 1162947
[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium
CID 6929476
2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 582689
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide
CID 53348431
sodium 3-[2-(3-sulfosulfanylpropanoylamino)propyl]-1H-indole
CID 126465875
N-[(2R)-1-cyano-3-(1H-indol-3-yl)propan-2-yl]butanamide
CID 102399250
calcium (2S)-2-[[(2S)-2-(butanoylamino)propanoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 110187481
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide
CID 138693223
(2S)-2-(hexadecanoylamino)-3-(1H-indol-3-yl)propanoic acid
CID 10321153
N-[(2S)-1-(1H-indol-3-yl)-3-oxobutan-2-yl]hexanamide
CID 135165358
N-(4-ethylsulfanylbutan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 115662191

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)propan-2-yl]butanamide?
The IUPAC name of N-[1-(1H-indol-3-yl)propan-2-yl]butanamide (CID 5022905) is N-[1-(1H-indol-3-yl)propan-2-yl]butanamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)propan-2-yl]butanamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)propan-2-yl]butanamide is CCCC(=O)NC(C)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[1-(1H-indol-3-yl)propan-2-yl]butanamide?
The InChIKey is ATXUUJPHRAAOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-6-15(18)17-11(2)9-12-10-16-14-8-5-4-7-13(12)14/h4-5,7-8,10-11,16H,3,6,9H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(1H-indol-3-yl)propan-2-yl]butanamide?
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide has a molecular weight of 244.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)propan-2-yl]butanamide is sourced from PubChem (CID 5022905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).