N,N'-bis(oxolan-2-ylmethyl)nonanediamide

C19H34N2O4 — CID 3374523

IUPACN,N'-bis(oxolan-2-ylmethyl)nonanediamide
SMILESO=C(CCCCCCCC(=O)NCC1CCCO1)NCC1CCCO1
InChIInChI=1S/C19H34N2O4/c22-18(20-14-16-8-6-12-24-16)10-4-2-1-3-5-11-19(23)21-15-17-9-7-13-25-17/h16-17H,1-15H2,(H,20,22)(H,21,23)
InChIKeyPVUIBSVZAWEBBD-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.31
Rot. Bonds12

About N,N'-bis(oxolan-2-ylmethyl)nonanediamide

N,N'-bis(oxolan-2-ylmethyl)nonanediamide (PubChem CID 3374523) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is N,N'-bis(oxolan-2-ylmethyl)nonanediamide.

Molecular Properties

Compound NameN,N'-bis(oxolan-2-ylmethyl)nonanediamide
PubChem CID3374523
Molecular FormulaC19H34N2O4
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC NameN,N'-bis(oxolan-2-ylmethyl)nonanediamide
SMILESO=C(CCCCCCCC(=O)NCC1CCCO1)NCC1CCCO1
InChIInChI=1S/C19H34N2O4/c22-18(20-14-16-8-6-12-24-16)10-4-2-1-3-5-11-19(23)21-15-17-9-7-13-25-17/h16-17H,1-15H2,(H,20,22)(H,21,23)
InChIKeyPVUIBSVZAWEBBD-UHFFFAOYSA-N
XLogP2.31
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.31
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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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(oxolan-2-ylmethyl)nonanediamide?
The IUPAC name of N,N'-bis(oxolan-2-ylmethyl)nonanediamide (CID 3374523) is N,N'-bis(oxolan-2-ylmethyl)nonanediamide.
What is the SMILES notation for N,N'-bis(oxolan-2-ylmethyl)nonanediamide?
The canonical SMILES for N,N'-bis(oxolan-2-ylmethyl)nonanediamide is O=C(CCCCCCCC(=O)NCC1CCCO1)NCC1CCCO1.
What is the InChIKey of N,N'-bis(oxolan-2-ylmethyl)nonanediamide?
The InChIKey is PVUIBSVZAWEBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O4/c22-18(20-14-16-8-6-12-24-16)10-4-2-1-3-5-11-19(23)21-15-17-9-7-13-25-17/h16-17H,1-15H2,(H,20,22)(H,21,23).
What are the key properties of N,N'-bis(oxolan-2-ylmethyl)nonanediamide?
N,N'-bis(oxolan-2-ylmethyl)nonanediamide has a molecular weight of 354.49 g/mol, XLogP of 2.31, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(oxolan-2-ylmethyl)nonanediamide is sourced from PubChem (CID 3374523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).