(3E)-N-(1-phenylethyl)-3-(propanoylhydrazinylidene)butanamide

C15H21N3O2 — CID 11835798

IUPAC(3E)-N-(1-phenylethyl)-3-(propanoylhydrazinylidene)butanamide
SMILESCCC(=O)N/N=C(\C)CC(=O)NC(C)c1ccccc1
InChIInChI=1S/C15H21N3O2/c1-4-14(19)18-17-11(2)10-15(20)16-12(3)13-8-6-5-7-9-13/h5-9,12H,4,10H2,1-3H3,(H,16,20)(H,18,19)/b17-11+
InChIKeyLMLBAJSTUZHBFP-GZTJUZNOSA-N
MW275.35 g/mol
LogP2.16
Rot. Bonds6

About (3E)-N-(1-phenylethyl)-3-(propanoylhydrazinylidene)butanamide

(3E)-N-(1-phenylethyl)-3-(propanoylhydrazinylidene)butanamide (PubChem CID 11835798) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (3E)-N-(1-phenylethyl)-3-(propanoylhydrazinylidene)butanamide.

Molecular Properties

Compound Name(3E)-N-(1-phenylethyl)-3-(propanoylhydrazinylidene)butanamide
PubChem CID11835798
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(3E)-N-(1-phenylethyl)-3-(propanoylhydrazinylidene)butanamide
SMILESCCC(=O)N/N=C(\C)CC(=O)NC(C)c1ccccc1
InChIInChI=1S/C15H21N3O2/c1-4-14(19)18-17-11(2)10-15(20)16-12(3)13-8-6-5-7-9-13/h5-9,12H,4,10H2,1-3H3,(H,16,20)(H,18,19)/b17-11+
InChIKeyLMLBAJSTUZHBFP-GZTJUZNOSA-N
XLogP2.16
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.16
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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Related Compounds

3-(carbamothioylhydrazinylidene)-N-(1-phenylethyl)butanamide
CID 3130014
(3Z)-N-[(1S)-1-phenylethyl]-3-[(2-thiophen-2-ylacetyl)hydrazinylidene]butanamide
CID 7269525
4-methoxy-N-[(Z)-[4-oxo-4-[[(1S)-1-phenylethyl]amino]butan-2-ylidene]amino]benzamide
CID 7269523
3,5-dimethoxy-N-[(E)-[4-oxo-4-(1-phenylethylamino)butan-2-ylidene]amino]benzamide
CID 46501874
3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(1-phenylethyl)butanamide
CID 5202497
2-(butan-2-ylamino)-N-[(1S)-1-phenylethyl]acetamide
CID 63867528
3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 5156149
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
2-fluoro-N-(1-phenylethyl)acetamide
CID 10329953
N-[(1R)-1-phenylethyl]-2-sulfanylacetamide
CID 130013972
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182

Frequently Asked Questions

What is the IUPAC name of (3E)-N-(1-phenylethyl)-3-(propanoylhydrazinylidene)butanamide?
The IUPAC name of (3E)-N-(1-phenylethyl)-3-(propanoylhydrazinylidene)butanamide (CID 11835798) is (3E)-N-(1-phenylethyl)-3-(propanoylhydrazinylidene)butanamide.
What is the SMILES notation for (3E)-N-(1-phenylethyl)-3-(propanoylhydrazinylidene)butanamide?
The canonical SMILES for (3E)-N-(1-phenylethyl)-3-(propanoylhydrazinylidene)butanamide is CCC(=O)N/N=C(\C)CC(=O)NC(C)c1ccccc1.
What is the InChIKey of (3E)-N-(1-phenylethyl)-3-(propanoylhydrazinylidene)butanamide?
The InChIKey is LMLBAJSTUZHBFP-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-14(19)18-17-11(2)10-15(20)16-12(3)13-8-6-5-7-9-13/h5-9,12H,4,10H2,1-3H3,(H,16,20)(H,18,19)/b17-11+.
What are the key properties of (3E)-N-(1-phenylethyl)-3-(propanoylhydrazinylidene)butanamide?
(3E)-N-(1-phenylethyl)-3-(propanoylhydrazinylidene)butanamide has a molecular weight of 275.35 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-(1-phenylethyl)-3-(propanoylhydrazinylidene)butanamide is sourced from PubChem (CID 11835798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).