disodium;ethanol;hydride;10-[(2-hydroxybenzoyl)amino]decanoic acid

C19H33NNa2O5 — CID 173066251

IUPACdisodium;ethanol;hydride;10-[(2-hydroxybenzoyl)amino]decanoic acid
SMILESCCO.O=C(O)CCCCCCCCCNC(=O)c1ccccc1O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C17H25NO4.C2H6O.2Na.2H/c19-15-11-8-7-10-14(15)17(22)18-13-9-5-3-1-2-4-6-12-16(20)21;1-2-3;;;;/h7-8,10-11,19H,1-6,9,12-13H2,(H,18,22)(H,20,21);3H,2H2,1H3;;;;/q;;2*+1;2*-1
InChIKeyPEWKSRLWZMRNMD-UHFFFAOYSA-N
MW401.46 g/mol
LogP-2.44
Rot. Bonds11

About disodium;ethanol;hydride;10-[(2-hydroxybenzoyl)amino]decanoic acid

disodium;ethanol;hydride;10-[(2-hydroxybenzoyl)amino]decanoic acid (PubChem CID 173066251) has the molecular formula C19H33NNa2O5 and a molecular weight of 401.46 g/mol. Its IUPAC name is disodium;ethanol;hydride;10-[(2-hydroxybenzoyl)amino]decanoic acid.

Molecular Properties

Compound Namedisodium;ethanol;hydride;10-[(2-hydroxybenzoyl)amino]decanoic acid
PubChem CID173066251
Molecular FormulaC19H33NNa2O5
Molecular Weight401.46 g/mol
Exact Mass401.22
IUPAC Namedisodium;ethanol;hydride;10-[(2-hydroxybenzoyl)amino]decanoic acid
SMILESCCO.O=C(O)CCCCCCCCCNC(=O)c1ccccc1O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/C17H25NO4.C2H6O.2Na.2H/c19-15-11-8-7-10-14(15)17(22)18-13-9-5-3-1-2-4-6-12-16(20)21;1-2-3;;;;/h7-8,10-11,19H,1-6,9,12-13H2,(H,18,22)(H,20,21);3H,2H2,1H3;;;;/q;;2*+1;2*-1
InChIKeyPEWKSRLWZMRNMD-UHFFFAOYSA-N
XLogP-2.44
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 5-2.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)acetic acid;8-[(2-hydroxybenzoyl)amino]octanoic acid
CID 175912578
2-hydroxy-N-(10-oxoundecyl)benzamide
CID 21335630
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
2-hydroxy-N-[8-(methylamino)-8-oxooctyl]benzamide
CID 167022462
11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360
10-[(2-hydroxybenzoyl)amino]decanoate
CID 145137506
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
azanium 8-[(2-hydroxybenzoyl)amino]octanoate
CID 171364107
8-[(2-bromobenzoyl)amino]octanoic acid
CID 10807216
6-(naphthalene-1-carbonylamino)hexanoic acid
CID 14196780
2-hydroxy-N-(11-nitroso-11-oxoundecyl)benzamide
CID 163501379
5-[(2-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 119235201

Frequently Asked Questions

What is the IUPAC name of disodium;ethanol;hydride;10-[(2-hydroxybenzoyl)amino]decanoic acid?
The IUPAC name of disodium;ethanol;hydride;10-[(2-hydroxybenzoyl)amino]decanoic acid (CID 173066251) is disodium;ethanol;hydride;10-[(2-hydroxybenzoyl)amino]decanoic acid.
What is the SMILES notation for disodium;ethanol;hydride;10-[(2-hydroxybenzoyl)amino]decanoic acid?
The canonical SMILES for disodium;ethanol;hydride;10-[(2-hydroxybenzoyl)amino]decanoic acid is CCO.O=C(O)CCCCCCCCCNC(=O)c1ccccc1O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;ethanol;hydride;10-[(2-hydroxybenzoyl)amino]decanoic acid?
The InChIKey is PEWKSRLWZMRNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4.C2H6O.2Na.2H/c19-15-11-8-7-10-14(15)17(22)18-13-9-5-3-1-2-4-6-12-16(20)21;1-2-3;;;;/h7-8,10-11,19H,1-6,9,12-13H2,(H,18,22)(H,20,21);3H,2H2,1H3;;;;/q;;2*+1;2*-1.
What are the key properties of disodium;ethanol;hydride;10-[(2-hydroxybenzoyl)amino]decanoic acid?
disodium;ethanol;hydride;10-[(2-hydroxybenzoyl)amino]decanoic acid has a molecular weight of 401.46 g/mol, XLogP of -2.44, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;ethanol;hydride;10-[(2-hydroxybenzoyl)amino]decanoic acid is sourced from PubChem (CID 173066251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).