N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide

C15H19N3O3 — CID 70077971

IUPACN-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide
SMILESNN=Cc1ccc(NC(=O)CCC2CCCC(=O)O2)cc1
InChIInChI=1S/C15H19N3O3/c16-17-10-11-4-6-12(7-5-11)18-14(19)9-8-13-2-1-3-15(20)21-13/h4-7,10,13H,1-3,8-9,16H2,(H,18,19)
InChIKeyMZCQHSUZKHWSHY-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.79
Rot. Bonds5

About N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide

N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide (PubChem CID 70077971) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide
PubChem CID70077971
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide
SMILESNN=Cc1ccc(NC(=O)CCC2CCCC(=O)O2)cc1
InChIInChI=1S/C15H19N3O3/c16-17-10-11-4-6-12(7-5-11)18-14(19)9-8-13-2-1-3-15(20)21-13/h4-7,10,13H,1-3,8-9,16H2,(H,18,19)
InChIKeyMZCQHSUZKHWSHY-UHFFFAOYSA-N
XLogP1.79
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(4-methanehydrazonoylphenyl)heptanediamide
CID 68508823
3-cyclopropyl-2-[[4-(4-methanehydrazonoylanilino)-4-oxobutanoyl]amino]propanoic acid
CID 70210728
N'-(4-methanehydrazonoylphenyl)-N-propylbutanediamide
CID 142639898
N'-(2,4-dimethylpentan-3-yl)-N-(4-methanehydrazonoylphenyl)butanediamide
CID 142639904
N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700
(3S)-4-hydroxy-3-[[4-(4-methanehydrazonoylanilino)-4-oxobutanoyl]amino]butanoic acid
CID 70061469
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 77057810
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 77057653
3-[[4-(4-methanehydrazonoylanilino)-4-oxobutanoyl]amino]hex-5-enoic acid
CID 70063052
N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 63939812
N-[4-(2-chloroethyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 114299310
3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 110685427

Frequently Asked Questions

What is the IUPAC name of N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide?
The IUPAC name of N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide (CID 70077971) is N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide.
What is the SMILES notation for N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide?
The canonical SMILES for N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide is NN=Cc1ccc(NC(=O)CCC2CCCC(=O)O2)cc1.
What is the InChIKey of N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide?
The InChIKey is MZCQHSUZKHWSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-17-10-11-4-6-12(7-5-11)18-14(19)9-8-13-2-1-3-15(20)21-13/h4-7,10,13H,1-3,8-9,16H2,(H,18,19).
What are the key properties of N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide?
N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide has a molecular weight of 289.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methanehydrazonoylphenyl)-3-(6-oxooxan-2-yl)propanamide is sourced from PubChem (CID 70077971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).