bis(benzylamino) hexanedioate

C20H24N2O4 — CID 90108260

IUPACbis(benzylamino) hexanedioate
SMILESO=C(CCCCC(=O)ONCc1ccccc1)ONCc1ccccc1
InChIInChI=1S/C20H24N2O4/c23-19(25-21-15-17-9-3-1-4-10-17)13-7-8-14-20(24)26-22-16-18-11-5-2-6-12-18/h1-6,9-12,21-22H,7-8,13-16H2
InChIKeyVWMNDNHQRUGMSK-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.04
Rot. Bonds11

About bis(benzylamino) hexanedioate

bis(benzylamino) hexanedioate (PubChem CID 90108260) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is bis(benzylamino) hexanedioate.

Molecular Properties

Compound Namebis(benzylamino) hexanedioate
PubChem CID90108260
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Namebis(benzylamino) hexanedioate
SMILESO=C(CCCCC(=O)ONCc1ccccc1)ONCc1ccccc1
InChIInChI=1S/C20H24N2O4/c23-19(25-21-15-17-9-3-1-4-10-17)13-7-8-14-20(24)26-22-16-18-11-5-2-6-12-18/h1-6,9-12,21-22H,7-8,13-16H2
InChIKeyVWMNDNHQRUGMSK-UHFFFAOYSA-N
XLogP3.04
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

azane;(benzylamino) 2-phenylacetate
CID 174695749
6-[[2-(aminomethyl)phenyl]methylamino]oxy-6-oxohexanoic acid
CID 139996760
ethyl 5-(benzylamino)pentanoate;hydrochloride
CID 6602878
methyl 8-phenylmethoxyoctanoate
CID 562206
(2S)-2-(benzylamino)oxycarbonyl-3-methylbutanoic acid
CID 54362157
bis[2-[2-(2-phenylethoxy)ethoxy]ethyl] hexanedioate
CID 69172633
N-benzylundecanamide
CID 5078198
benzyl heptadecanoate
CID 522569
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
bis(3-phenylpropyl) hexanedioate
CID 59854363
6-(benzylcarbamoylamino)-6-oxohexanoic acid
CID 43447266
5-(benzylcarbamoylamino)pentanamide
CID 106235188

Frequently Asked Questions

What is the IUPAC name of bis(benzylamino) hexanedioate?
The IUPAC name of bis(benzylamino) hexanedioate (CID 90108260) is bis(benzylamino) hexanedioate.
What is the SMILES notation for bis(benzylamino) hexanedioate?
The canonical SMILES for bis(benzylamino) hexanedioate is O=C(CCCCC(=O)ONCc1ccccc1)ONCc1ccccc1.
What is the InChIKey of bis(benzylamino) hexanedioate?
The InChIKey is VWMNDNHQRUGMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c23-19(25-21-15-17-9-3-1-4-10-17)13-7-8-14-20(24)26-22-16-18-11-5-2-6-12-18/h1-6,9-12,21-22H,7-8,13-16H2.
What are the key properties of bis(benzylamino) hexanedioate?
bis(benzylamino) hexanedioate has a molecular weight of 356.42 g/mol, XLogP of 3.04, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzylamino) hexanedioate is sourced from PubChem (CID 90108260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).