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

C16H19N3O — CID 102399250

IUPACN-[(2R)-1-cyano-3-(1H-indol-3-yl)propan-2-yl]butanamide
SMILESCCCC(=O)N[C@@H](CC#N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H19N3O/c1-2-5-16(20)19-13(8-9-17)10-12-11-18-15-7-4-3-6-14(12)15/h3-4,6-7,11,13,18H,2,5,8,10H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyKIAWGCFHQTVESP-ZDUSSCGKSA-N
MW269.35 g/mol
LogP2.91
Rot. Bonds6

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

N-[(2R)-1-cyano-3-(1H-indol-3-yl)propan-2-yl]butanamide (PubChem CID 102399250) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-[(2R)-1-cyano-3-(1H-indol-3-yl)propan-2-yl]butanamide.

Molecular Properties

Compound NameN-[(2R)-1-cyano-3-(1H-indol-3-yl)propan-2-yl]butanamide
PubChem CID102399250
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-[(2R)-1-cyano-3-(1H-indol-3-yl)propan-2-yl]butanamide
SMILESCCCC(=O)N[C@@H](CC#N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H19N3O/c1-2-5-16(20)19-13(8-9-17)10-12-11-18-15-7-4-3-6-14(12)15/h3-4,6-7,11,13,18H,2,5,8,10H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyKIAWGCFHQTVESP-ZDUSSCGKSA-N
XLogP2.91
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
(2S)-2-(docosanoylamino)-3-(1H-indol-3-yl)propanoic acid
CID 171117069
(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
(4R)-4-(butanoylamino)-N-[(2S)-5-[[(2R)-1-(1H-indol-3-yl)-5-[[(2S)-5-[[(3R)-4-methyl-1-oxopentan-3-yl]amino]-5-oxopentan-2-yl]amino]-5-oxopentan-2-yl]amino]-5-oxopentan-2-yl]-5-methylhexanamide;yttrium
CID 58709652
calcium (2S)-2-[[(2S)-2-(butanoylamino)propanoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 110187481
sodium;2-(dodecanoylamino)-3-(1H-indol-3-yl)propanoic acid;hydride
CID 174967996
N-(1-aminohexan-2-yl)-3-(1H-indol-3-yl)propanamide
CID 80697180
sodium;hydride;(2S)-3-(1H-indol-3-yl)-2-(octanoylamino)propanoic acid
CID 175251451
N-(1-aminopentan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 65190802
N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 142880124
5-(3-chlorophenyl)-N-[1-cyano-3-(1H-indol-3-yl)propan-2-yl]-2-(trifluoromethoxy)benzamide
CID 25205488

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-cyano-3-(1H-indol-3-yl)propan-2-yl]butanamide?
The IUPAC name of N-[(2R)-1-cyano-3-(1H-indol-3-yl)propan-2-yl]butanamide (CID 102399250) is N-[(2R)-1-cyano-3-(1H-indol-3-yl)propan-2-yl]butanamide.
What is the SMILES notation for N-[(2R)-1-cyano-3-(1H-indol-3-yl)propan-2-yl]butanamide?
The canonical SMILES for N-[(2R)-1-cyano-3-(1H-indol-3-yl)propan-2-yl]butanamide is CCCC(=O)N[C@@H](CC#N)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[(2R)-1-cyano-3-(1H-indol-3-yl)propan-2-yl]butanamide?
The InChIKey is KIAWGCFHQTVESP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-5-16(20)19-13(8-9-17)10-12-11-18-15-7-4-3-6-14(12)15/h3-4,6-7,11,13,18H,2,5,8,10H2,1H3,(H,19,20)/t13-/m0/s1.
What are the key properties of N-[(2R)-1-cyano-3-(1H-indol-3-yl)propan-2-yl]butanamide?
N-[(2R)-1-cyano-3-(1H-indol-3-yl)propan-2-yl]butanamide has a molecular weight of 269.35 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-cyano-3-(1H-indol-3-yl)propan-2-yl]butanamide is sourced from PubChem (CID 102399250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).