N-[2-[2-[2-[2-(dipropylamino)acetyl]hydrazinyl]-2-oxoacetyl]phenyl]benzamide;hydrate;hydrochloride

C23H31ClN4O5 — CID 21154669

IUPACN-[2-[2-[2-[2-(dipropylamino)acetyl]hydrazinyl]-2-oxoacetyl]phenyl]benzamide;hydrate;hydrochloride
SMILESCCCN(CCC)CC(=O)NNC(=O)C(=O)c1ccccc1NC(=O)c1ccccc1.Cl.O
InChIInChI=1S/C23H28N4O4.ClH.H2O/c1-3-14-27(15-4-2)16-20(28)25-26-23(31)21(29)18-12-8-9-13-19(18)24-22(30)17-10-6-5-7-11-17;;/h5-13H,3-4,14-16H2,1-2H3,(H,24,30)(H,25,28)(H,26,31);1H;1H2
InChIKeyWXNRABWNXZOOGC-UHFFFAOYSA-N
MW478.98 g/mol
LogP1.99
Rot. Bonds10

About N-[2-[2-[2-[2-(dipropylamino)acetyl]hydrazinyl]-2-oxoacetyl]phenyl]benzamide;hydrate;hydrochloride

N-[2-[2-[2-[2-(dipropylamino)acetyl]hydrazinyl]-2-oxoacetyl]phenyl]benzamide;hydrate;hydrochloride (PubChem CID 21154669) has the molecular formula C23H31ClN4O5 and a molecular weight of 478.98 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(dipropylamino)acetyl]hydrazinyl]-2-oxoacetyl]phenyl]benzamide;hydrate;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-[2-[2-(dipropylamino)acetyl]hydrazinyl]-2-oxoacetyl]phenyl]benzamide;hydrate;hydrochloride
PubChem CID21154669
Molecular FormulaC23H31ClN4O5
Molecular Weight478.98 g/mol
Exact Mass478.20
IUPAC NameN-[2-[2-[2-[2-(dipropylamino)acetyl]hydrazinyl]-2-oxoacetyl]phenyl]benzamide;hydrate;hydrochloride
SMILESCCCN(CCC)CC(=O)NNC(=O)C(=O)c1ccccc1NC(=O)c1ccccc1.Cl.O
InChIInChI=1S/C23H28N4O4.ClH.H2O/c1-3-14-27(15-4-2)16-20(28)25-26-23(31)21(29)18-12-8-9-13-19(18)24-22(30)17-10-6-5-7-11-17;;/h5-13H,3-4,14-16H2,1-2H3,(H,24,30)(H,25,28)(H,26,31);1H;1H2
InChIKeyWXNRABWNXZOOGC-UHFFFAOYSA-N
XLogP1.99
TPSA139.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.98
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[2-(dipropylamino)acetyl]hydrazinyl]-2-oxoacetyl]phenyl]benzamide
CID 3069729
N-[2-[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]phenyl]benzamide
CID 3069734
2-[[4-[ethyl(propyl)amino]benzoyl]amino]benzoic acid
CID 126837218
2-(dipropylamino)-N-(2-ethylphenyl)acetamide
CID 109006597
ethyl (2S)-2-[(2-benzamidobenzoyl)amino]butanoate
CID 2177719
2-benzamidobenzamide
CID 702115
N'-[2-[azetidin-3-yl(propyl)amino]acetyl]benzohydrazide
CID 66213702
N-benzyl-4-[[2-(dipropylamino)acetyl]amino]benzamide
CID 54818841
N-[2-(methylamino)phenyl]benzamide
CID 101444547
ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid
CID 143368686
N-[2-(2-anilino-2-oxoacetyl)phenyl]propanamide
CID 2195525
2-[[3-(dipropylsulfamoyl)benzoyl]amino]benzoic acid
CID 45340807

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-(dipropylamino)acetyl]hydrazinyl]-2-oxoacetyl]phenyl]benzamide;hydrate;hydrochloride?
The IUPAC name of N-[2-[2-[2-[2-(dipropylamino)acetyl]hydrazinyl]-2-oxoacetyl]phenyl]benzamide;hydrate;hydrochloride (CID 21154669) is N-[2-[2-[2-[2-(dipropylamino)acetyl]hydrazinyl]-2-oxoacetyl]phenyl]benzamide;hydrate;hydrochloride.
What is the SMILES notation for N-[2-[2-[2-[2-(dipropylamino)acetyl]hydrazinyl]-2-oxoacetyl]phenyl]benzamide;hydrate;hydrochloride?
The canonical SMILES for N-[2-[2-[2-[2-(dipropylamino)acetyl]hydrazinyl]-2-oxoacetyl]phenyl]benzamide;hydrate;hydrochloride is CCCN(CCC)CC(=O)NNC(=O)C(=O)c1ccccc1NC(=O)c1ccccc1.Cl.O.
What is the InChIKey of N-[2-[2-[2-[2-(dipropylamino)acetyl]hydrazinyl]-2-oxoacetyl]phenyl]benzamide;hydrate;hydrochloride?
The InChIKey is WXNRABWNXZOOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4.ClH.H2O/c1-3-14-27(15-4-2)16-20(28)25-26-23(31)21(29)18-12-8-9-13-19(18)24-22(30)17-10-6-5-7-11-17;;/h5-13H,3-4,14-16H2,1-2H3,(H,24,30)(H,25,28)(H,26,31);1H;1H2.
What are the key properties of N-[2-[2-[2-[2-(dipropylamino)acetyl]hydrazinyl]-2-oxoacetyl]phenyl]benzamide;hydrate;hydrochloride?
N-[2-[2-[2-[2-(dipropylamino)acetyl]hydrazinyl]-2-oxoacetyl]phenyl]benzamide;hydrate;hydrochloride has a molecular weight of 478.98 g/mol, XLogP of 1.99, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-(dipropylamino)acetyl]hydrazinyl]-2-oxoacetyl]phenyl]benzamide;hydrate;hydrochloride is sourced from PubChem (CID 21154669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).