N-[2-[2,3-bis(2-formamidoethoxy)-2-methylpropoxy]ethyl]formamide

C13H25N3O6 — CID 153430773

IUPACN-[2-[2,3-bis(2-formamidoethoxy)-2-methylpropoxy]ethyl]formamide
SMILESCC(COCCNC=O)(COCCNC=O)OCCNC=O
InChIInChI=1S/C13H25N3O6/c1-13(22-7-4-16-12-19,8-20-5-2-14-10-17)9-21-6-3-15-11-18/h10-12H,2-9H2,1H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyOWNHOMNUIGVWRW-UHFFFAOYSA-N
MW319.36 g/mol
LogP-1.97
Rot. Bonds17

About N-[2-[2,3-bis(2-formamidoethoxy)-2-methylpropoxy]ethyl]formamide

N-[2-[2,3-bis(2-formamidoethoxy)-2-methylpropoxy]ethyl]formamide (PubChem CID 153430773) has the molecular formula C13H25N3O6 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[2-[2,3-bis(2-formamidoethoxy)-2-methylpropoxy]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[2,3-bis(2-formamidoethoxy)-2-methylpropoxy]ethyl]formamide
PubChem CID153430773
Molecular FormulaC13H25N3O6
Molecular Weight319.36 g/mol
Exact Mass319.17
IUPAC NameN-[2-[2,3-bis(2-formamidoethoxy)-2-methylpropoxy]ethyl]formamide
SMILESCC(COCCNC=O)(COCCNC=O)OCCNC=O
InChIInChI=1S/C13H25N3O6/c1-13(22-7-4-16-12-19,8-20-5-2-14-10-17)9-21-6-3-15-11-18/h10-12H,2-9H2,1H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyOWNHOMNUIGVWRW-UHFFFAOYSA-N
XLogP-1.97
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 5-1.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2,3-bis(2-formamidoethoxy)-2-methylpropoxy]ethyl]formamide?
The IUPAC name of N-[2-[2,3-bis(2-formamidoethoxy)-2-methylpropoxy]ethyl]formamide (CID 153430773) is N-[2-[2,3-bis(2-formamidoethoxy)-2-methylpropoxy]ethyl]formamide.
What is the SMILES notation for N-[2-[2,3-bis(2-formamidoethoxy)-2-methylpropoxy]ethyl]formamide?
The canonical SMILES for N-[2-[2,3-bis(2-formamidoethoxy)-2-methylpropoxy]ethyl]formamide is CC(COCCNC=O)(COCCNC=O)OCCNC=O.
What is the InChIKey of N-[2-[2,3-bis(2-formamidoethoxy)-2-methylpropoxy]ethyl]formamide?
The InChIKey is OWNHOMNUIGVWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O6/c1-13(22-7-4-16-12-19,8-20-5-2-14-10-17)9-21-6-3-15-11-18/h10-12H,2-9H2,1H3,(H,14,17)(H,15,18)(H,16,19).
What are the key properties of N-[2-[2,3-bis(2-formamidoethoxy)-2-methylpropoxy]ethyl]formamide?
N-[2-[2,3-bis(2-formamidoethoxy)-2-methylpropoxy]ethyl]formamide has a molecular weight of 319.36 g/mol, XLogP of -1.97, 17 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,3-bis(2-formamidoethoxy)-2-methylpropoxy]ethyl]formamide is sourced from PubChem (CID 153430773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).