2-phenyl-2-[propan-2-yl(propyl)amino]acetohydrazide

C14H23N3O — CID 63573273

IUPAC2-phenyl-2-[propan-2-yl(propyl)amino]acetohydrazide
SMILESCCCN(C(C)C)C(C(=O)NN)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-4-10-17(11(2)3)13(14(18)16-15)12-8-6-5-7-9-12/h5-9,11,13H,4,10,15H2,1-3H3,(H,16,18)
InChIKeyNVTYGNFBFCARJC-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.84
Rot. Bonds6

About 2-phenyl-2-[propan-2-yl(propyl)amino]acetohydrazide

2-phenyl-2-[propan-2-yl(propyl)amino]acetohydrazide (PubChem CID 63573273) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-phenyl-2-[propan-2-yl(propyl)amino]acetohydrazide.

Molecular Properties

Compound Name2-phenyl-2-[propan-2-yl(propyl)amino]acetohydrazide
PubChem CID63573273
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-phenyl-2-[propan-2-yl(propyl)amino]acetohydrazide
SMILESCCCN(C(C)C)C(C(=O)NN)c1ccccc1
InChIInChI=1S/C14H23N3O/c1-4-10-17(11(2)3)13(14(18)16-15)12-8-6-5-7-9-12/h5-9,11,13H,4,10,15H2,1-3H3,(H,16,18)
InChIKeyNVTYGNFBFCARJC-UHFFFAOYSA-N
XLogP1.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

2-(dipropylamino)-2-phenylacetohydrazide
CID 63569909
2-[cyclopropylmethyl(propan-2-yl)amino]-2-phenylacetohydrazide
CID 55214441
2-[methyl(pentan-2-yl)amino]-2-phenylacetohydrazide
CID 63571994
2-[methyl(3-methylbutyl)amino]-2-phenylacetohydrazide
CID 63578760
2-[butyl(2-hydroxyethyl)amino]-2-phenylacetohydrazide
CID 55213465
2-[2-methoxyethyl(pentan-3-yl)amino]-2-phenylacetohydrazide
CID 63577148
2-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylacetohydrazide
CID 81068829
2-[2-hydroxyethyl(propan-2-yl)amino]-2-phenylacetic acid
CID 54994766
(2R)-2-(dimethylamino)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylacetamide
CID 97017597
2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride
CID 164518114
N-ethyl-2-[ethyl-(2-hydrazinyl-2-oxo-1-phenylethyl)amino]acetamide
CID 63579664
1-phenyl-2-[propan-2-yl(propyl)amino]propan-1-one
CID 43795382

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[propan-2-yl(propyl)amino]acetohydrazide?
The IUPAC name of 2-phenyl-2-[propan-2-yl(propyl)amino]acetohydrazide (CID 63573273) is 2-phenyl-2-[propan-2-yl(propyl)amino]acetohydrazide.
What is the SMILES notation for 2-phenyl-2-[propan-2-yl(propyl)amino]acetohydrazide?
The canonical SMILES for 2-phenyl-2-[propan-2-yl(propyl)amino]acetohydrazide is CCCN(C(C)C)C(C(=O)NN)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[propan-2-yl(propyl)amino]acetohydrazide?
The InChIKey is NVTYGNFBFCARJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-10-17(11(2)3)13(14(18)16-15)12-8-6-5-7-9-12/h5-9,11,13H,4,10,15H2,1-3H3,(H,16,18).
What are the key properties of 2-phenyl-2-[propan-2-yl(propyl)amino]acetohydrazide?
2-phenyl-2-[propan-2-yl(propyl)amino]acetohydrazide has a molecular weight of 249.36 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[propan-2-yl(propyl)amino]acetohydrazide is sourced from PubChem (CID 63573273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).