N-[1-(2-hexanoylhydrazinyl)-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide

C27H31N5O5 — CID 174968046

IUPACN-[1-(2-hexanoylhydrazinyl)-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
SMILESCCCCCC(=O)NNC(=O)C(Cc1c[nH]c2ccc(O)cc12)NC(=O)Cc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C27H31N5O5/c1-2-3-4-5-25(35)31-32-27(37)24(10-16-14-28-22-8-6-18(33)12-20(16)22)30-26(36)11-17-15-29-23-9-7-19(34)13-21(17)23/h6-9,12-15,24,28-29,33-34H,2-5,10-11H2,1H3,(H,30,36)(H,31,35)(H,32,37)
InChIKeyQVBBWKPVTKFVNF-UHFFFAOYSA-N
MW505.58 g/mol
LogP3.06
Rot. Bonds10

About N-[1-(2-hexanoylhydrazinyl)-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide

N-[1-(2-hexanoylhydrazinyl)-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide (PubChem CID 174968046) has the molecular formula C27H31N5O5 and a molecular weight of 505.58 g/mol. Its IUPAC name is N-[1-(2-hexanoylhydrazinyl)-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-hexanoylhydrazinyl)-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
PubChem CID174968046
Molecular FormulaC27H31N5O5
Molecular Weight505.58 g/mol
Exact Mass505.23
IUPAC NameN-[1-(2-hexanoylhydrazinyl)-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
SMILESCCCCCC(=O)NNC(=O)C(Cc1c[nH]c2ccc(O)cc12)NC(=O)Cc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C27H31N5O5/c1-2-3-4-5-25(35)31-32-27(37)24(10-16-14-28-22-8-6-18(33)12-20(16)22)30-26(36)11-17-15-29-23-9-7-19(34)13-21(17)23/h6-9,12-15,24,28-29,33-34H,2-5,10-11H2,1H3,(H,30,36)(H,31,35)(H,32,37)
InChIKeyQVBBWKPVTKFVNF-UHFFFAOYSA-N
XLogP3.06
TPSA159.34 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.58
LogP ≤ 53.06
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(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
(2S)-2-(docosanoylamino)-3-(1H-indol-3-yl)propanoic acid
CID 171117069
3-(5-hydroxy-1H-indol-3-yl)-N,2-dimethylpropanamide
CID 166672970
sodium;2-(dodecanoylamino)-3-(1H-indol-3-yl)propanoic acid;hydride
CID 174967996
sodium;hydride;(2S)-3-(1H-indol-3-yl)-2-(octanoylamino)propanoic acid
CID 175251451
3-(5-fluoro-1H-indol-3-yl)-2-(octadec-9-enoylamino)propanoic acid
CID 70499115
2-[[(2S)-2-[[(2S)-2-(hexadecanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetic acid
CID 122376498
3-(5-chloro-1H-indol-3-yl)-2-(octadec-9-enoylamino)propanoic acid
CID 57252882
ethane;4-(5-hydroxy-1H-indol-3-yl)-3-(methylamino)butan-2-one
CID 145087627
ethane;4-(5-hydroxy-1H-indol-3-yl)-3-(methylamino)butan-2-one
CID 145087532
(6Z,9Z,12Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadeca-6,9,12-trienamide
CID 24749163

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hexanoylhydrazinyl)-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-[1-(2-hexanoylhydrazinyl)-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide (CID 174968046) is N-[1-(2-hexanoylhydrazinyl)-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[1-(2-hexanoylhydrazinyl)-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[1-(2-hexanoylhydrazinyl)-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide is CCCCCC(=O)NNC(=O)C(Cc1c[nH]c2ccc(O)cc12)NC(=O)Cc1c[nH]c2ccc(O)cc12.
What is the InChIKey of N-[1-(2-hexanoylhydrazinyl)-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
The InChIKey is QVBBWKPVTKFVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O5/c1-2-3-4-5-25(35)31-32-27(37)24(10-16-14-28-22-8-6-18(33)12-20(16)22)30-26(36)11-17-15-29-23-9-7-19(34)13-21(17)23/h6-9,12-15,24,28-29,33-34H,2-5,10-11H2,1H3,(H,30,36)(H,31,35)(H,32,37).
What are the key properties of N-[1-(2-hexanoylhydrazinyl)-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide?
N-[1-(2-hexanoylhydrazinyl)-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide has a molecular weight of 505.58 g/mol, XLogP of 3.06, 10 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hexanoylhydrazinyl)-3-(5-hydroxy-1H-indol-3-yl)-1-oxopropan-2-yl]-2-(5-hydroxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 174968046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).