N,N'-diethyl-2-methylpropanediamide

C8H16N2O2 — CID 157284761

IUPACN,N'-diethyl-2-methylpropanediamide
SMILESCCNC(=O)C(C)C(=O)NCC
InChIInChI=1S/C8H16N2O2/c1-4-9-7(11)6(3)8(12)10-5-2/h6H,4-5H2,1-3H3,(H,9,11)(H,10,12)
InChIKeyOIBAPPYPRDWCNL-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.11
Rot. Bonds4

About N,N'-diethyl-2-methylpropanediamide

N,N'-diethyl-2-methylpropanediamide (PubChem CID 157284761) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N,N'-diethyl-2-methylpropanediamide.

Molecular Properties

Compound NameN,N'-diethyl-2-methylpropanediamide
PubChem CID157284761
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN,N'-diethyl-2-methylpropanediamide
SMILESCCNC(=O)C(C)C(=O)NCC
InChIInChI=1S/C8H16N2O2/c1-4-9-7(11)6(3)8(12)10-5-2/h6H,4-5H2,1-3H3,(H,9,11)(H,10,12)
InChIKeyOIBAPPYPRDWCNL-UHFFFAOYSA-N
XLogP-0.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-2-methylpropanediamide?
The IUPAC name of N,N'-diethyl-2-methylpropanediamide (CID 157284761) is N,N'-diethyl-2-methylpropanediamide.
What is the SMILES notation for N,N'-diethyl-2-methylpropanediamide?
The canonical SMILES for N,N'-diethyl-2-methylpropanediamide is CCNC(=O)C(C)C(=O)NCC.
What is the InChIKey of N,N'-diethyl-2-methylpropanediamide?
The InChIKey is OIBAPPYPRDWCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-4-9-7(11)6(3)8(12)10-5-2/h6H,4-5H2,1-3H3,(H,9,11)(H,10,12).
What are the key properties of N,N'-diethyl-2-methylpropanediamide?
N,N'-diethyl-2-methylpropanediamide has a molecular weight of 172.23 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-2-methylpropanediamide is sourced from PubChem (CID 157284761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).