potassium 2,6-bis[(2-phenylacetyl)amino]hexanoate

C22H25KN2O4 — CID 23703834

IUPACpotassium 2,6-bis[(2-phenylacetyl)amino]hexanoate
SMILESO=C(Cc1ccccc1)NCCCCC(NC(=O)Cc1ccccc1)C(=O)[O-].[K+]
InChIInChI=1S/C22H26N2O4.K/c25-20(15-17-9-3-1-4-10-17)23-14-8-7-13-19(22(27)28)24-21(26)16-18-11-5-2-6-12-18;/h1-6,9-12,19H,7-8,13-16H2,(H,23,25)(H,24,26)(H,27,28);/q;+1/p-1
InChIKeyUJTFFQLFDFNNEO-UHFFFAOYSA-M
MW420.55 g/mol
LogP-2.00
Rot. Bonds11

About potassium 2,6-bis[(2-phenylacetyl)amino]hexanoate

potassium 2,6-bis[(2-phenylacetyl)amino]hexanoate (PubChem CID 23703834) has the molecular formula C22H25KN2O4 and a molecular weight of 420.55 g/mol. Its IUPAC name is potassium 2,6-bis[(2-phenylacetyl)amino]hexanoate.

Molecular Properties

Compound Namepotassium 2,6-bis[(2-phenylacetyl)amino]hexanoate
PubChem CID23703834
Molecular FormulaC22H25KN2O4
Molecular Weight420.55 g/mol
Exact Mass420.15
IUPAC Namepotassium 2,6-bis[(2-phenylacetyl)amino]hexanoate
SMILESO=C(Cc1ccccc1)NCCCCC(NC(=O)Cc1ccccc1)C(=O)[O-].[K+]
InChIInChI=1S/C22H26N2O4.K/c25-20(15-17-9-3-1-4-10-17)23-14-8-7-13-19(22(27)28)24-21(26)16-18-11-5-2-6-12-18;/h1-6,9-12,19H,7-8,13-16H2,(H,23,25)(H,24,26)(H,27,28);/q;+1/p-1
InChIKeyUJTFFQLFDFNNEO-UHFFFAOYSA-M
XLogP-2.00
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 5-2.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-phenylacetyl)amino]pentanedioate
CID 19350015
ethyl (2R)-6-oxo-6-(pentylamino)-2-[(2-phenylacetyl)amino]hexanoate
CID 101042782
methyl (2R)-6-[(2-phenylacetyl)amino]-2-[[3,4,5-tris(phenylmethoxy)benzoyl]amino]hexanoate
CID 99648353
N-[3-amino-3-[(2-phenylacetyl)amino]propyl]-2-phenylacetamide
CID 171755707
(2S)-4-methoxy-4-oxo-2-[(2-phenylacetyl)amino]butanoate
CID 71358472
(2S)-6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic acid
CID 7015183
N-[(5S)-5,6-diaminohexyl]-2-(4-phenylmethoxyphenyl)acetamide
CID 69001910
ethyl (2R)-4-oxo-4-(pentylamino)-2-[(2-phenylacetyl)amino]butanoate
CID 11131836
N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
CID 103862364
5-[[2-(3-bromophenyl)acetyl]amino]-2-methylpentanoic acid
CID 113440578
N-(3,3-diphenylpropyl)-3-phenyl-2-[(2-phenylacetyl)amino]propanamide
CID 42696967
N-(3-anilinopropyl)-2-phenylacetamide
CID 102467435

Frequently Asked Questions

What is the IUPAC name of potassium 2,6-bis[(2-phenylacetyl)amino]hexanoate?
The IUPAC name of potassium 2,6-bis[(2-phenylacetyl)amino]hexanoate (CID 23703834) is potassium 2,6-bis[(2-phenylacetyl)amino]hexanoate.
What is the SMILES notation for potassium 2,6-bis[(2-phenylacetyl)amino]hexanoate?
The canonical SMILES for potassium 2,6-bis[(2-phenylacetyl)amino]hexanoate is O=C(Cc1ccccc1)NCCCCC(NC(=O)Cc1ccccc1)C(=O)[O-].[K+].
What is the InChIKey of potassium 2,6-bis[(2-phenylacetyl)amino]hexanoate?
The InChIKey is UJTFFQLFDFNNEO-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H26N2O4.K/c25-20(15-17-9-3-1-4-10-17)23-14-8-7-13-19(22(27)28)24-21(26)16-18-11-5-2-6-12-18;/h1-6,9-12,19H,7-8,13-16H2,(H,23,25)(H,24,26)(H,27,28);/q;+1/p-1.
What are the key properties of potassium 2,6-bis[(2-phenylacetyl)amino]hexanoate?
potassium 2,6-bis[(2-phenylacetyl)amino]hexanoate has a molecular weight of 420.55 g/mol, XLogP of -2.00, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2,6-bis[(2-phenylacetyl)amino]hexanoate is sourced from PubChem (CID 23703834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).