N-[[4-(dimethylamino)phenyl]methyl]acetohydrazide

C11H17N3O — CID 3052822

IUPACN-[[4-(dimethylamino)phenyl]methyl]acetohydrazide
SMILESCC(=O)N(N)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C11H17N3O/c1-9(15)14(12)8-10-4-6-11(7-5-10)13(2)3/h4-7H,8,12H2,1-3H3
InChIKeyGVIBQRCUHIQAAP-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.97
Rot. Bonds3

About N-[[4-(dimethylamino)phenyl]methyl]acetohydrazide

N-[[4-(dimethylamino)phenyl]methyl]acetohydrazide (PubChem CID 3052822) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]acetohydrazide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]acetohydrazide
PubChem CID3052822
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]acetohydrazide
SMILESCC(=O)N(N)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C11H17N3O/c1-9(15)14(12)8-10-4-6-11(7-5-10)13(2)3/h4-7H,8,12H2,1-3H3
InChIKeyGVIBQRCUHIQAAP-UHFFFAOYSA-N
XLogP0.97
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 N-[[4-(dimethylamino)phenyl]methyl]acetohydrazide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]acetohydrazide (CID 3052822) is N-[[4-(dimethylamino)phenyl]methyl]acetohydrazide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]acetohydrazide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]acetohydrazide is CC(=O)N(N)Cc1ccc(N(C)C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]acetohydrazide?
The InChIKey is GVIBQRCUHIQAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9(15)14(12)8-10-4-6-11(7-5-10)13(2)3/h4-7H,8,12H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]acetohydrazide?
N-[[4-(dimethylamino)phenyl]methyl]acetohydrazide has a molecular weight of 207.28 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]acetohydrazide is sourced from PubChem (CID 3052822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).