N'-[2-[azetidin-3-yl(propyl)amino]acetyl]benzohydrazide

C15H22N4O2 — CID 66213702

IUPACN'-[2-[azetidin-3-yl(propyl)amino]acetyl]benzohydrazide
SMILESCCCN(CC(=O)NNC(=O)c1ccccc1)C1CNC1
InChIInChI=1S/C15H22N4O2/c1-2-8-19(13-9-16-10-13)11-14(20)17-18-15(21)12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3,(H,17,20)(H,18,21)
InChIKeyKRGYTIBDLQCUOC-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.13
Rot. Bonds6

About N'-[2-[azetidin-3-yl(propyl)amino]acetyl]benzohydrazide

N'-[2-[azetidin-3-yl(propyl)amino]acetyl]benzohydrazide (PubChem CID 66213702) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N'-[2-[azetidin-3-yl(propyl)amino]acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[azetidin-3-yl(propyl)amino]acetyl]benzohydrazide
PubChem CID66213702
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN'-[2-[azetidin-3-yl(propyl)amino]acetyl]benzohydrazide
SMILESCCCN(CC(=O)NNC(=O)c1ccccc1)C1CNC1
InChIInChI=1S/C15H22N4O2/c1-2-8-19(13-9-16-10-13)11-14(20)17-18-15(21)12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3,(H,17,20)(H,18,21)
InChIKeyKRGYTIBDLQCUOC-UHFFFAOYSA-N
XLogP0.13
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[azetidin-3-yl(propyl)amino]acetyl]-2-phenylacetamide
CID 66216125
2-[azetidin-3-yl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 66216109
2-[azetidin-3-yl(propyl)amino]-N-(4-fluorophenyl)acetamide
CID 66213900
2-[azetidin-3-yl(propyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 66216510
2-[azetidin-3-yl(propyl)amino]-N-cyclopropylacetamide
CID 66216105
2-[azetidin-3-yl(propyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 66216307
N-(2-phenoxyethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 119921645
2-[azetidin-3-yl(propyl)amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 66216723
1-phenyl-2-[piperidin-4-yl(propyl)amino]ethanone
CID 62031069
N'-acetyl-2-[propyl(pyrrolidin-3-yl)amino]acetohydrazide
CID 63300602
2-[azetidin-3-yl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide
CID 66214675
2-[azetidin-3-yl(propyl)amino]-N,N-dimethylacetamide
CID 62784248

Frequently Asked Questions

What is the IUPAC name of N'-[2-[azetidin-3-yl(propyl)amino]acetyl]benzohydrazide?
The IUPAC name of N'-[2-[azetidin-3-yl(propyl)amino]acetyl]benzohydrazide (CID 66213702) is N'-[2-[azetidin-3-yl(propyl)amino]acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-[azetidin-3-yl(propyl)amino]acetyl]benzohydrazide?
The canonical SMILES for N'-[2-[azetidin-3-yl(propyl)amino]acetyl]benzohydrazide is CCCN(CC(=O)NNC(=O)c1ccccc1)C1CNC1.
What is the InChIKey of N'-[2-[azetidin-3-yl(propyl)amino]acetyl]benzohydrazide?
The InChIKey is KRGYTIBDLQCUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-8-19(13-9-16-10-13)11-14(20)17-18-15(21)12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-[2-[azetidin-3-yl(propyl)amino]acetyl]benzohydrazide?
N'-[2-[azetidin-3-yl(propyl)amino]acetyl]benzohydrazide has a molecular weight of 290.37 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[azetidin-3-yl(propyl)amino]acetyl]benzohydrazide is sourced from PubChem (CID 66213702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).