2-methyl-2-propan-2-ylpropanediamide

C7H14N2O2 — CID 45122126

IUPAC2-methyl-2-propan-2-ylpropanediamide
SMILESCC(C)C(C)(C(N)=O)C(N)=O
InChIInChI=1S/C7H14N2O2/c1-4(2)7(3,5(8)10)6(9)11/h4H,1-3H3,(H2,8,10)(H2,9,11)
InChIKeyPUTPPAJLGSUQPW-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.38
Rot. Bonds3

About 2-methyl-2-propan-2-ylpropanediamide

2-methyl-2-propan-2-ylpropanediamide (PubChem CID 45122126) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-methyl-2-propan-2-ylpropanediamide.

Molecular Properties

Compound Name2-methyl-2-propan-2-ylpropanediamide
PubChem CID45122126
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-methyl-2-propan-2-ylpropanediamide
SMILESCC(C)C(C)(C(N)=O)C(N)=O
InChIInChI=1S/C7H14N2O2/c1-4(2)7(3,5(8)10)6(9)11/h4H,1-3H3,(H2,8,10)(H2,9,11)
InChIKeyPUTPPAJLGSUQPW-UHFFFAOYSA-N
XLogP-0.38
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.38
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 2-methyl-2-propan-2-ylpropanediamide?
The IUPAC name of 2-methyl-2-propan-2-ylpropanediamide (CID 45122126) is 2-methyl-2-propan-2-ylpropanediamide.
What is the SMILES notation for 2-methyl-2-propan-2-ylpropanediamide?
The canonical SMILES for 2-methyl-2-propan-2-ylpropanediamide is CC(C)C(C)(C(N)=O)C(N)=O.
What is the InChIKey of 2-methyl-2-propan-2-ylpropanediamide?
The InChIKey is PUTPPAJLGSUQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-4(2)7(3,5(8)10)6(9)11/h4H,1-3H3,(H2,8,10)(H2,9,11).
What are the key properties of 2-methyl-2-propan-2-ylpropanediamide?
2-methyl-2-propan-2-ylpropanediamide has a molecular weight of 158.20 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propan-2-ylpropanediamide is sourced from PubChem (CID 45122126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).