N-[3-[4-(7-oxo-1,3,6-oxadiazonane-3-carbonyl)phenyl]phenyl]cyclopropanecarboxamide

C23H25N3O4 — CID 142573869

IUPACN-[3-[4-(7-oxo-1,3,6-oxadiazonane-3-carbonyl)phenyl]phenyl]cyclopropanecarboxamide
SMILESO=C1CCOCN(C(=O)c2ccc(-c3cccc(NC(=O)C4CC4)c3)cc2)CCN1
InChIInChI=1S/C23H25N3O4/c27-21-10-13-30-15-26(12-11-24-21)23(29)18-8-4-16(5-9-18)19-2-1-3-20(14-19)25-22(28)17-6-7-17/h1-5,8-9,14,17H,6-7,10-13,15H2,(H,24,27)(H,25,28)
InChIKeyYEWUUGGBORXXMV-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.64
Rot. Bonds4

About N-[3-[4-(7-oxo-1,3,6-oxadiazonane-3-carbonyl)phenyl]phenyl]cyclopropanecarboxamide

N-[3-[4-(7-oxo-1,3,6-oxadiazonane-3-carbonyl)phenyl]phenyl]cyclopropanecarboxamide (PubChem CID 142573869) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[3-[4-(7-oxo-1,3,6-oxadiazonane-3-carbonyl)phenyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-(7-oxo-1,3,6-oxadiazonane-3-carbonyl)phenyl]phenyl]cyclopropanecarboxamide
PubChem CID142573869
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-[3-[4-(7-oxo-1,3,6-oxadiazonane-3-carbonyl)phenyl]phenyl]cyclopropanecarboxamide
SMILESO=C1CCOCN(C(=O)c2ccc(-c3cccc(NC(=O)C4CC4)c3)cc2)CCN1
InChIInChI=1S/C23H25N3O4/c27-21-10-13-30-15-26(12-11-24-21)23(29)18-8-4-16(5-9-18)19-2-1-3-20(14-19)25-22(28)17-6-7-17/h1-5,8-9,14,17H,6-7,10-13,15H2,(H,24,27)(H,25,28)
InChIKeyYEWUUGGBORXXMV-UHFFFAOYSA-N
XLogP2.64
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-[4-(oxetane-2-carbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide
CID 118633871
3-[4-(1-ethylindazol-6-yl)benzoyl]-1,3,6-oxadiazonan-7-one
CID 142573886
N-[3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119283240
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclobutanecarboxamide
CID 118633865
N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclohexanecarboxamide
CID 118633902
N-(3-nitrophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 1315418
N-[3-(5-oxo-1,4-diazepane-1-carbonyl)phenyl]acetamide
CID 62044906
N-[4-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119418264
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 801213
N-[3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)phenyl]cyclopropanecarboxamide
CID 119637482

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(7-oxo-1,3,6-oxadiazonane-3-carbonyl)phenyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[4-(7-oxo-1,3,6-oxadiazonane-3-carbonyl)phenyl]phenyl]cyclopropanecarboxamide (CID 142573869) is N-[3-[4-(7-oxo-1,3,6-oxadiazonane-3-carbonyl)phenyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[4-(7-oxo-1,3,6-oxadiazonane-3-carbonyl)phenyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[4-(7-oxo-1,3,6-oxadiazonane-3-carbonyl)phenyl]phenyl]cyclopropanecarboxamide is O=C1CCOCN(C(=O)c2ccc(-c3cccc(NC(=O)C4CC4)c3)cc2)CCN1.
What is the InChIKey of N-[3-[4-(7-oxo-1,3,6-oxadiazonane-3-carbonyl)phenyl]phenyl]cyclopropanecarboxamide?
The InChIKey is YEWUUGGBORXXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c27-21-10-13-30-15-26(12-11-24-21)23(29)18-8-4-16(5-9-18)19-2-1-3-20(14-19)25-22(28)17-6-7-17/h1-5,8-9,14,17H,6-7,10-13,15H2,(H,24,27)(H,25,28).
What are the key properties of N-[3-[4-(7-oxo-1,3,6-oxadiazonane-3-carbonyl)phenyl]phenyl]cyclopropanecarboxamide?
N-[3-[4-(7-oxo-1,3,6-oxadiazonane-3-carbonyl)phenyl]phenyl]cyclopropanecarboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(7-oxo-1,3,6-oxadiazonane-3-carbonyl)phenyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 142573869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).