3-(dimethylamino)-N'-(3-phenoxypropanoyl)benzohydrazide

C18H21N3O3 — CID 30486316

IUPAC3-(dimethylamino)-N'-(3-phenoxypropanoyl)benzohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)CCOc2ccccc2)c1
InChIInChI=1S/C18H21N3O3/c1-21(2)15-8-6-7-14(13-15)18(23)20-19-17(22)11-12-24-16-9-4-3-5-10-16/h3-10,13H,11-12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyQJTBGNYWKWPYDA-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.98
Rot. Bonds6

About 3-(dimethylamino)-N'-(3-phenoxypropanoyl)benzohydrazide

3-(dimethylamino)-N'-(3-phenoxypropanoyl)benzohydrazide (PubChem CID 30486316) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-(dimethylamino)-N'-(3-phenoxypropanoyl)benzohydrazide.

Molecular Properties

Compound Name3-(dimethylamino)-N'-(3-phenoxypropanoyl)benzohydrazide
PubChem CID30486316
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-(dimethylamino)-N'-(3-phenoxypropanoyl)benzohydrazide
SMILESCN(C)c1cccc(C(=O)NNC(=O)CCOc2ccccc2)c1
InChIInChI=1S/C18H21N3O3/c1-21(2)15-8-6-7-14(13-15)18(23)20-19-17(22)11-12-24-16-9-4-3-5-10-16/h3-10,13H,11-12H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyQJTBGNYWKWPYDA-UHFFFAOYSA-N
XLogP1.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-N'-[3-(4-fluorophenoxy)propanoyl]benzohydrazide
CID 38796379
3-(dimethylamino)-N'-[3-(3-methoxyphenyl)propanoyl]benzohydrazide
CID 34409132
N'-benzoyl-3-(2-phenoxyethoxy)benzohydrazide
CID 4955128
N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide
CID 7969097
N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
CID 9168927
3,4,5-trimethoxy-N'-(3-phenoxypropanoyl)benzohydrazide
CID 2117105
3-(2-ethoxyethoxy)-N'-(3-ethoxypropanoyl)benzohydrazide
CID 17139800
3-(dimethylamino)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 26184762
N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955104
N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide
CID 17340326
3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide
CID 30485788
3-(dimethylamino)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 46437083

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N'-(3-phenoxypropanoyl)benzohydrazide?
The IUPAC name of 3-(dimethylamino)-N'-(3-phenoxypropanoyl)benzohydrazide (CID 30486316) is 3-(dimethylamino)-N'-(3-phenoxypropanoyl)benzohydrazide.
What is the SMILES notation for 3-(dimethylamino)-N'-(3-phenoxypropanoyl)benzohydrazide?
The canonical SMILES for 3-(dimethylamino)-N'-(3-phenoxypropanoyl)benzohydrazide is CN(C)c1cccc(C(=O)NNC(=O)CCOc2ccccc2)c1.
What is the InChIKey of 3-(dimethylamino)-N'-(3-phenoxypropanoyl)benzohydrazide?
The InChIKey is QJTBGNYWKWPYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-21(2)15-8-6-7-14(13-15)18(23)20-19-17(22)11-12-24-16-9-4-3-5-10-16/h3-10,13H,11-12H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 3-(dimethylamino)-N'-(3-phenoxypropanoyl)benzohydrazide?
3-(dimethylamino)-N'-(3-phenoxypropanoyl)benzohydrazide has a molecular weight of 327.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N'-(3-phenoxypropanoyl)benzohydrazide is sourced from PubChem (CID 30486316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).