2-(ethylideneamino)-N-propan-2-ylacetamide

C7H14N2O — CID 123858528

IUPAC2-(ethylideneamino)-N-propan-2-ylacetamide
SMILESC/C=N/CC(=O)NC(C)C
InChIInChI=1S/C7H14N2O/c1-4-8-5-7(10)9-6(2)3/h4,6H,5H2,1-3H3,(H,9,10)/b8-4+
InChIKeyROTIIHHJNOVLBX-XBXARRHUSA-N
MW142.20 g/mol
LogP0.60
Rot. Bonds3

About 2-(ethylideneamino)-N-propan-2-ylacetamide

2-(ethylideneamino)-N-propan-2-ylacetamide (PubChem CID 123858528) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-(ethylideneamino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(ethylideneamino)-N-propan-2-ylacetamide
PubChem CID123858528
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-(ethylideneamino)-N-propan-2-ylacetamide
SMILESC/C=N/CC(=O)NC(C)C
InChIInChI=1S/C7H14N2O/c1-4-8-5-7(10)9-6(2)3/h4,6H,5H2,1-3H3,(H,9,10)/b8-4+
InChIKeyROTIIHHJNOVLBX-XBXARRHUSA-N
XLogP0.60
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylideneamino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(ethylideneamino)-N-propan-2-ylacetamide (CID 123858528) is 2-(ethylideneamino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(ethylideneamino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(ethylideneamino)-N-propan-2-ylacetamide is C/C=N/CC(=O)NC(C)C.
What is the InChIKey of 2-(ethylideneamino)-N-propan-2-ylacetamide?
The InChIKey is ROTIIHHJNOVLBX-XBXARRHUSA-N. The full InChI is InChI=1S/C7H14N2O/c1-4-8-5-7(10)9-6(2)3/h4,6H,5H2,1-3H3,(H,9,10)/b8-4+.
What are the key properties of 2-(ethylideneamino)-N-propan-2-ylacetamide?
2-(ethylideneamino)-N-propan-2-ylacetamide has a molecular weight of 142.20 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylideneamino)-N-propan-2-ylacetamide is sourced from PubChem (CID 123858528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).