N-methyl-2-methylidene-N'-propylpropanediamide

C8H14N2O2 — CID 102186954

IUPACN-methyl-2-methylidene-N'-propylpropanediamide
SMILESC=C(C(=O)NC)C(=O)NCCC
InChIInChI=1S/C8H14N2O2/c1-4-5-10-8(12)6(2)7(11)9-3/h2,4-5H2,1,3H3,(H,9,11)(H,10,12)
InChIKeyUFNYYJOCQOILSJ-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.19
Rot. Bonds4

About N-methyl-2-methylidene-N'-propylpropanediamide

N-methyl-2-methylidene-N'-propylpropanediamide (PubChem CID 102186954) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-methyl-2-methylidene-N'-propylpropanediamide.

Molecular Properties

Compound NameN-methyl-2-methylidene-N'-propylpropanediamide
PubChem CID102186954
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-methyl-2-methylidene-N'-propylpropanediamide
SMILESC=C(C(=O)NC)C(=O)NCCC
InChIInChI=1S/C8H14N2O2/c1-4-5-10-8(12)6(2)7(11)9-3/h2,4-5H2,1,3H3,(H,9,11)(H,10,12)
InChIKeyUFNYYJOCQOILSJ-UHFFFAOYSA-N
XLogP-0.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylidene-N'-propylpropanediamide?
The IUPAC name of N-methyl-2-methylidene-N'-propylpropanediamide (CID 102186954) is N-methyl-2-methylidene-N'-propylpropanediamide.
What is the SMILES notation for N-methyl-2-methylidene-N'-propylpropanediamide?
The canonical SMILES for N-methyl-2-methylidene-N'-propylpropanediamide is C=C(C(=O)NC)C(=O)NCCC.
What is the InChIKey of N-methyl-2-methylidene-N'-propylpropanediamide?
The InChIKey is UFNYYJOCQOILSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-4-5-10-8(12)6(2)7(11)9-3/h2,4-5H2,1,3H3,(H,9,11)(H,10,12).
What are the key properties of N-methyl-2-methylidene-N'-propylpropanediamide?
N-methyl-2-methylidene-N'-propylpropanediamide has a molecular weight of 170.21 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylidene-N'-propylpropanediamide is sourced from PubChem (CID 102186954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).