5-amino-N-[(10,11-dihydroxy-2,6,8-trioxabicyclo[5.2.2]undecan-9-yl)methyl]pentanamide

C14H26N2O6 — CID 59343141

IUPAC5-amino-N-[(10,11-dihydroxy-2,6,8-trioxabicyclo[5.2.2]undecan-9-yl)methyl]pentanamide
SMILESNCCCCC(=O)NCC1OC2OCCCOC1C(O)C2O
InChIInChI=1S/C14H26N2O6/c15-5-2-1-4-10(17)16-8-9-13-11(18)12(19)14(22-9)21-7-3-6-20-13/h9,11-14,18-19H,1-8,15H2,(H,16,17)
InChIKeyZPIWWBSMZLRLBN-UHFFFAOYSA-N
MW318.37 g/mol
LogP-1.52
Rot. Bonds6

About 5-amino-N-[(10,11-dihydroxy-2,6,8-trioxabicyclo[5.2.2]undecan-9-yl)methyl]pentanamide

5-amino-N-[(10,11-dihydroxy-2,6,8-trioxabicyclo[5.2.2]undecan-9-yl)methyl]pentanamide (PubChem CID 59343141) has the molecular formula C14H26N2O6 and a molecular weight of 318.37 g/mol. Its IUPAC name is 5-amino-N-[(10,11-dihydroxy-2,6,8-trioxabicyclo[5.2.2]undecan-9-yl)methyl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[(10,11-dihydroxy-2,6,8-trioxabicyclo[5.2.2]undecan-9-yl)methyl]pentanamide
PubChem CID59343141
Molecular FormulaC14H26N2O6
Molecular Weight318.37 g/mol
Exact Mass318.18
IUPAC Name5-amino-N-[(10,11-dihydroxy-2,6,8-trioxabicyclo[5.2.2]undecan-9-yl)methyl]pentanamide
SMILESNCCCCC(=O)NCC1OC2OCCCOC1C(O)C2O
InChIInChI=1S/C14H26N2O6/c15-5-2-1-4-10(17)16-8-9-13-11(18)12(19)14(22-9)21-7-3-6-20-13/h9,11-14,18-19H,1-8,15H2,(H,16,17)
InChIKeyZPIWWBSMZLRLBN-UHFFFAOYSA-N
XLogP-1.52
TPSA123.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-amino-N-[(10,11-dihydroxy-2,6,8-trioxabicyclo[5.2.2]undecan-9-yl)methyl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-5-amino-1-[(10,11-dihydroxy-2,6,8-trioxabicyclo[5.2.2]undecan-9-yl)methylamino]-1-oxopentan-2-yl]carbamate
CID 58196356
9-(4-aminobutylsulfanylmethyl)-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol;hydrochloride
CID 123638814
N-[[36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30,35-hexakis[(undec-10-enoylamino)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl]undec-10-enamide
CID 177391515
9-(2-aminoethylsulfanylmethyl)-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol;hydrochloride
CID 123773148
9-[(4-hydroxyanilino)methyl]-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol
CID 59343176
6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide
CID 106135658
7-amino-N-[(2-tert-butyloxan-3-yl)methyl]heptanamide;hydrochloride
CID 119795866
6-amino-N-(cyclopropylmethyl)hexanamide
CID 24707919
7-amino-N-(cyclopropylmethyl)heptanamide
CID 24705524
6-amino-N-(cyclohexylmethyl)hexanamide
CID 43371592
7-amino-N-(oxan-4-ylmethyl)heptanamide;hydrochloride
CID 119724916
9-(azidomethyl)-2,6,8-trioxabicyclo[5.2.2]undecane-10,11-diol
CID 59343151

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(10,11-dihydroxy-2,6,8-trioxabicyclo[5.2.2]undecan-9-yl)methyl]pentanamide?
The IUPAC name of 5-amino-N-[(10,11-dihydroxy-2,6,8-trioxabicyclo[5.2.2]undecan-9-yl)methyl]pentanamide (CID 59343141) is 5-amino-N-[(10,11-dihydroxy-2,6,8-trioxabicyclo[5.2.2]undecan-9-yl)methyl]pentanamide.
What is the SMILES notation for 5-amino-N-[(10,11-dihydroxy-2,6,8-trioxabicyclo[5.2.2]undecan-9-yl)methyl]pentanamide?
The canonical SMILES for 5-amino-N-[(10,11-dihydroxy-2,6,8-trioxabicyclo[5.2.2]undecan-9-yl)methyl]pentanamide is NCCCCC(=O)NCC1OC2OCCCOC1C(O)C2O.
What is the InChIKey of 5-amino-N-[(10,11-dihydroxy-2,6,8-trioxabicyclo[5.2.2]undecan-9-yl)methyl]pentanamide?
The InChIKey is ZPIWWBSMZLRLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O6/c15-5-2-1-4-10(17)16-8-9-13-11(18)12(19)14(22-9)21-7-3-6-20-13/h9,11-14,18-19H,1-8,15H2,(H,16,17).
What are the key properties of 5-amino-N-[(10,11-dihydroxy-2,6,8-trioxabicyclo[5.2.2]undecan-9-yl)methyl]pentanamide?
5-amino-N-[(10,11-dihydroxy-2,6,8-trioxabicyclo[5.2.2]undecan-9-yl)methyl]pentanamide has a molecular weight of 318.37 g/mol, XLogP of -1.52, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(10,11-dihydroxy-2,6,8-trioxabicyclo[5.2.2]undecan-9-yl)methyl]pentanamide is sourced from PubChem (CID 59343141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).