4-(butanoylamino)-N-(1-cyclopropylethylideneamino)benzamide

C16H21N3O2 — CID 913667

IUPAC4-(butanoylamino)-N-(1-cyclopropylethylideneamino)benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)NN=C(C)C2CC2)cc1
InChIInChI=1S/C16H21N3O2/c1-3-4-15(20)17-14-9-7-13(8-10-14)16(21)19-18-11(2)12-5-6-12/h7-10,12H,3-6H2,1-2H3,(H,17,20)(H,19,21)
InChIKeyOEOPSZRHAGDUCG-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.94
Rot. Bonds6

About 4-(butanoylamino)-N-(1-cyclopropylethylideneamino)benzamide

4-(butanoylamino)-N-(1-cyclopropylethylideneamino)benzamide (PubChem CID 913667) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(butanoylamino)-N-(1-cyclopropylethylideneamino)benzamide.

Molecular Properties

Compound Name4-(butanoylamino)-N-(1-cyclopropylethylideneamino)benzamide
PubChem CID913667
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-(butanoylamino)-N-(1-cyclopropylethylideneamino)benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)NN=C(C)C2CC2)cc1
InChIInChI=1S/C16H21N3O2/c1-3-4-15(20)17-14-9-7-13(8-10-14)16(21)19-18-11(2)12-5-6-12/h7-10,12H,3-6H2,1-2H3,(H,17,20)(H,19,21)
InChIKeyOEOPSZRHAGDUCG-UHFFFAOYSA-N
XLogP2.94
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(butanoylamino)-N-(1-cyclopropylethylideneamino)benzamide?
The IUPAC name of 4-(butanoylamino)-N-(1-cyclopropylethylideneamino)benzamide (CID 913667) is 4-(butanoylamino)-N-(1-cyclopropylethylideneamino)benzamide.
What is the SMILES notation for 4-(butanoylamino)-N-(1-cyclopropylethylideneamino)benzamide?
The canonical SMILES for 4-(butanoylamino)-N-(1-cyclopropylethylideneamino)benzamide is CCCC(=O)Nc1ccc(C(=O)NN=C(C)C2CC2)cc1.
What is the InChIKey of 4-(butanoylamino)-N-(1-cyclopropylethylideneamino)benzamide?
The InChIKey is OEOPSZRHAGDUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-4-15(20)17-14-9-7-13(8-10-14)16(21)19-18-11(2)12-5-6-12/h7-10,12H,3-6H2,1-2H3,(H,17,20)(H,19,21).
What are the key properties of 4-(butanoylamino)-N-(1-cyclopropylethylideneamino)benzamide?
4-(butanoylamino)-N-(1-cyclopropylethylideneamino)benzamide has a molecular weight of 287.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-N-(1-cyclopropylethylideneamino)benzamide is sourced from PubChem (CID 913667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).