N,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide

C14H22N2O3 — CID 108961366

IUPACN,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
SMILESCCN(CC)C(=O)C(C)(C)C(=O)NCc1ccco1
InChIInChI=1S/C14H22N2O3/c1-5-16(6-2)13(18)14(3,4)12(17)15-10-11-8-7-9-19-11/h7-9H,5-6,10H2,1-4H3,(H,15,17)
InChIKeyDMPQFMFHQFUWMG-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.79
Rot. Bonds6

About N,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide

N,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide (PubChem CID 108961366) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
PubChem CID108961366
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
SMILESCCN(CC)C(=O)C(C)(C)C(=O)NCc1ccco1
InChIInChI=1S/C14H22N2O3/c1-5-16(6-2)13(18)14(3,4)12(17)15-10-11-8-7-9-19-11/h7-9H,5-6,10H2,1-4H3,(H,15,17)
InChIKeyDMPQFMFHQFUWMG-UHFFFAOYSA-N
XLogP1.79
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide?
The IUPAC name of N,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide (CID 108961366) is N,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide is CCN(CC)C(=O)C(C)(C)C(=O)NCc1ccco1.
What is the InChIKey of N,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide?
The InChIKey is DMPQFMFHQFUWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-16(6-2)13(18)14(3,4)12(17)15-10-11-8-7-9-19-11/h7-9H,5-6,10H2,1-4H3,(H,15,17).
What are the key properties of N,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide?
N,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide has a molecular weight of 266.34 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108961366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).