4-(dimethylamino)-N'-[(1S)-1-phenylethyl]benzohydrazide

C17H21N3O — CID 11832930

IUPAC4-(dimethylamino)-N'-[(1S)-1-phenylethyl]benzohydrazide
SMILESC[C@H](NNC(=O)c1ccc(N(C)C)cc1)c1ccccc1
InChIInChI=1S/C17H21N3O/c1-13(14-7-5-4-6-8-14)18-19-17(21)15-9-11-16(12-10-15)20(2)3/h4-13,18H,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyOTRQGLJGRCNSQD-ZDUSSCGKSA-N
MW283.38 g/mol
LogP2.75
Rot. Bonds5

About 4-(dimethylamino)-N'-[(1S)-1-phenylethyl]benzohydrazide

4-(dimethylamino)-N'-[(1S)-1-phenylethyl]benzohydrazide (PubChem CID 11832930) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-(dimethylamino)-N'-[(1S)-1-phenylethyl]benzohydrazide.

Molecular Properties

Compound Name4-(dimethylamino)-N'-[(1S)-1-phenylethyl]benzohydrazide
PubChem CID11832930
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-(dimethylamino)-N'-[(1S)-1-phenylethyl]benzohydrazide
SMILESC[C@H](NNC(=O)c1ccc(N(C)C)cc1)c1ccccc1
InChIInChI=1S/C17H21N3O/c1-13(14-7-5-4-6-8-14)18-19-17(21)15-9-11-16(12-10-15)20(2)3/h4-13,18H,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyOTRQGLJGRCNSQD-ZDUSSCGKSA-N
XLogP2.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(dimethylamino)-N'-(1-phenylethyl)benzohydrazide
CID 19432094
N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]benzohydrazide
CID 146167409
ethyl 4-[1-(2-benzoylhydrazinyl)ethyl]benzoate
CID 19432093
N'-[(1R)-1-phenylethyl]acetohydrazide
CID 134953253
(1-phenylethylamino)urea
CID 3063444
4-(dimethylamino)-N-propan-2-ylbenzamide
CID 18712040
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
4-(dimethylamino)-N-(1-pyridin-3-ylethyl)benzamide
CID 51192997
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 27769378
4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide
CID 3914670
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide
CID 7496029
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzamide
CID 7496027

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N'-[(1S)-1-phenylethyl]benzohydrazide?
The IUPAC name of 4-(dimethylamino)-N'-[(1S)-1-phenylethyl]benzohydrazide (CID 11832930) is 4-(dimethylamino)-N'-[(1S)-1-phenylethyl]benzohydrazide.
What is the SMILES notation for 4-(dimethylamino)-N'-[(1S)-1-phenylethyl]benzohydrazide?
The canonical SMILES for 4-(dimethylamino)-N'-[(1S)-1-phenylethyl]benzohydrazide is C[C@H](NNC(=O)c1ccc(N(C)C)cc1)c1ccccc1.
What is the InChIKey of 4-(dimethylamino)-N'-[(1S)-1-phenylethyl]benzohydrazide?
The InChIKey is OTRQGLJGRCNSQD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13(14-7-5-4-6-8-14)18-19-17(21)15-9-11-16(12-10-15)20(2)3/h4-13,18H,1-3H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 4-(dimethylamino)-N'-[(1S)-1-phenylethyl]benzohydrazide?
4-(dimethylamino)-N'-[(1S)-1-phenylethyl]benzohydrazide has a molecular weight of 283.38 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N'-[(1S)-1-phenylethyl]benzohydrazide is sourced from PubChem (CID 11832930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).