N'-benzoyl-N'-(1-cyclopropylethyl)benzohydrazide;N'-benzoyl-N'-(2,4-dimethylpentan-3-yl)benzohydrazide

C40H46N4O4 — CID 160984605

IUPACN'-benzoyl-N'-(1-cyclopropylethyl)benzohydrazide;N'-benzoyl-N'-(2,4-dimethylpentan-3-yl)benzohydrazide
SMILESCC(C)C(C(C)C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1.CC(C1CC1)N(NC(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C21H26N2O2.C19H20N2O2/c1-15(2)19(16(3)4)23(21(25)18-13-9-6-10-14-18)22-20(24)17-11-7-5-8-12-17;1-14(15-12-13-15)21(19(23)17-10-6-3-7-11-17)20-18(22)16-8-4-2-5-9-16/h5-16,19H,1-4H3,(H,22,24);2-11,14-15H,12-13H2,1H3,(H,20,22)
InChIKeySZYPIFNSCDQUIM-UHFFFAOYSA-N
MW646.83 g/mol
LogP7.43
Rot. Bonds9

About N'-benzoyl-N'-(1-cyclopropylethyl)benzohydrazide;N'-benzoyl-N'-(2,4-dimethylpentan-3-yl)benzohydrazide

N'-benzoyl-N'-(1-cyclopropylethyl)benzohydrazide;N'-benzoyl-N'-(2,4-dimethylpentan-3-yl)benzohydrazide (PubChem CID 160984605) has the molecular formula C40H46N4O4 and a molecular weight of 646.83 g/mol. Its IUPAC name is N'-benzoyl-N'-(1-cyclopropylethyl)benzohydrazide;N'-benzoyl-N'-(2,4-dimethylpentan-3-yl)benzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-N'-(1-cyclopropylethyl)benzohydrazide;N'-benzoyl-N'-(2,4-dimethylpentan-3-yl)benzohydrazide
PubChem CID160984605
Molecular FormulaC40H46N4O4
Molecular Weight646.83 g/mol
Exact Mass646.35
IUPAC NameN'-benzoyl-N'-(1-cyclopropylethyl)benzohydrazide;N'-benzoyl-N'-(2,4-dimethylpentan-3-yl)benzohydrazide
SMILESCC(C)C(C(C)C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1.CC(C1CC1)N(NC(=O)c1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C21H26N2O2.C19H20N2O2/c1-15(2)19(16(3)4)23(21(25)18-13-9-6-10-14-18)22-20(24)17-11-7-5-8-12-17;1-14(15-12-13-15)21(19(23)17-10-6-3-7-11-17)20-18(22)16-8-4-2-5-9-16/h5-16,19H,1-4H3,(H,22,24);2-11,14-15H,12-13H2,1H3,(H,20,22)
InChIKeySZYPIFNSCDQUIM-UHFFFAOYSA-N
XLogP7.43
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.83
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-N'-(1-cyclopropylethyl)benzohydrazide;N'-benzoyl-N'-(2,4-dimethylpentan-3-yl)benzohydrazide?
The IUPAC name of N'-benzoyl-N'-(1-cyclopropylethyl)benzohydrazide;N'-benzoyl-N'-(2,4-dimethylpentan-3-yl)benzohydrazide (CID 160984605) is N'-benzoyl-N'-(1-cyclopropylethyl)benzohydrazide;N'-benzoyl-N'-(2,4-dimethylpentan-3-yl)benzohydrazide.
What is the SMILES notation for N'-benzoyl-N'-(1-cyclopropylethyl)benzohydrazide;N'-benzoyl-N'-(2,4-dimethylpentan-3-yl)benzohydrazide?
The canonical SMILES for N'-benzoyl-N'-(1-cyclopropylethyl)benzohydrazide;N'-benzoyl-N'-(2,4-dimethylpentan-3-yl)benzohydrazide is CC(C)C(C(C)C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1.CC(C1CC1)N(NC(=O)c1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N'-benzoyl-N'-(1-cyclopropylethyl)benzohydrazide;N'-benzoyl-N'-(2,4-dimethylpentan-3-yl)benzohydrazide?
The InChIKey is SZYPIFNSCDQUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.C19H20N2O2/c1-15(2)19(16(3)4)23(21(25)18-13-9-6-10-14-18)22-20(24)17-11-7-5-8-12-17;1-14(15-12-13-15)21(19(23)17-10-6-3-7-11-17)20-18(22)16-8-4-2-5-9-16/h5-16,19H,1-4H3,(H,22,24);2-11,14-15H,12-13H2,1H3,(H,20,22).
What are the key properties of N'-benzoyl-N'-(1-cyclopropylethyl)benzohydrazide;N'-benzoyl-N'-(2,4-dimethylpentan-3-yl)benzohydrazide?
N'-benzoyl-N'-(1-cyclopropylethyl)benzohydrazide;N'-benzoyl-N'-(2,4-dimethylpentan-3-yl)benzohydrazide has a molecular weight of 646.83 g/mol, XLogP of 7.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-N'-(1-cyclopropylethyl)benzohydrazide;N'-benzoyl-N'-(2,4-dimethylpentan-3-yl)benzohydrazide is sourced from PubChem (CID 160984605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).