N-benzyl-4-oxo-4-[2-[4-(2-phenylethoxy)benzoyl]hydrazinyl]butanamide

C26H27N3O4 — CID 4956632

IUPACN-benzyl-4-oxo-4-[2-[4-(2-phenylethoxy)benzoyl]hydrazinyl]butanamide
SMILESO=C(CCC(=O)NNC(=O)c1ccc(OCCc2ccccc2)cc1)NCc1ccccc1
InChIInChI=1S/C26H27N3O4/c30-24(27-19-21-9-5-2-6-10-21)15-16-25(31)28-29-26(32)22-11-13-23(14-12-22)33-18-17-20-7-3-1-4-8-20/h1-14H,15-19H2,(H,27,30)(H,28,31)(H,29,32)
InChIKeyGXRCNJSMKSHRTE-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.17
Rot. Bonds10

About N-benzyl-4-oxo-4-[2-[4-(2-phenylethoxy)benzoyl]hydrazinyl]butanamide

N-benzyl-4-oxo-4-[2-[4-(2-phenylethoxy)benzoyl]hydrazinyl]butanamide (PubChem CID 4956632) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-benzyl-4-oxo-4-[2-[4-(2-phenylethoxy)benzoyl]hydrazinyl]butanamide.

Molecular Properties

Compound NameN-benzyl-4-oxo-4-[2-[4-(2-phenylethoxy)benzoyl]hydrazinyl]butanamide
PubChem CID4956632
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-benzyl-4-oxo-4-[2-[4-(2-phenylethoxy)benzoyl]hydrazinyl]butanamide
SMILESO=C(CCC(=O)NNC(=O)c1ccc(OCCc2ccccc2)cc1)NCc1ccccc1
InChIInChI=1S/C26H27N3O4/c30-24(27-19-21-9-5-2-6-10-21)15-16-25(31)28-29-26(32)22-11-13-23(14-12-22)33-18-17-20-7-3-1-4-8-20/h1-14H,15-19H2,(H,27,30)(H,28,31)(H,29,32)
InChIKeyGXRCNJSMKSHRTE-UHFFFAOYSA-N
XLogP3.17
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.17
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-benzyl-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide
CID 3359263
4-(2-phenoxyethoxy)-N'-(3-phenylpropanoyl)benzohydrazide
CID 4952848
4-(2-phenylethoxy)-N'-[2-(4-phenylphenoxy)acetyl]benzohydrazide
CID 4956671
N'-(4-chlorobenzoyl)-4-(2-phenylethoxy)benzohydrazide
CID 4956611
N-benzyl-4-[2-(4-methylbenzoyl)hydrazinyl]-4-oxobutanamide
CID 3334492
N'-[2-(4-methoxyphenoxy)acetyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956591
4-oxo-4-[[4-(3-phenylpropoxy)phenyl]methylamino]butanoic acid
CID 20990989
N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide
CID 17340326
4-(2-phenoxyethoxy)-N'-(2-phenylacetyl)benzohydrazide
CID 4952867
2-chloro-N'-[4-(2-phenylethoxy)benzoyl]benzohydrazide
CID 4956612
N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956685
2-cyano-N-[[4-(2-phenylethoxy)phenyl]methyl]acetamide
CID 22682756

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-oxo-4-[2-[4-(2-phenylethoxy)benzoyl]hydrazinyl]butanamide?
The IUPAC name of N-benzyl-4-oxo-4-[2-[4-(2-phenylethoxy)benzoyl]hydrazinyl]butanamide (CID 4956632) is N-benzyl-4-oxo-4-[2-[4-(2-phenylethoxy)benzoyl]hydrazinyl]butanamide.
What is the SMILES notation for N-benzyl-4-oxo-4-[2-[4-(2-phenylethoxy)benzoyl]hydrazinyl]butanamide?
The canonical SMILES for N-benzyl-4-oxo-4-[2-[4-(2-phenylethoxy)benzoyl]hydrazinyl]butanamide is O=C(CCC(=O)NNC(=O)c1ccc(OCCc2ccccc2)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-oxo-4-[2-[4-(2-phenylethoxy)benzoyl]hydrazinyl]butanamide?
The InChIKey is GXRCNJSMKSHRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c30-24(27-19-21-9-5-2-6-10-21)15-16-25(31)28-29-26(32)22-11-13-23(14-12-22)33-18-17-20-7-3-1-4-8-20/h1-14H,15-19H2,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of N-benzyl-4-oxo-4-[2-[4-(2-phenylethoxy)benzoyl]hydrazinyl]butanamide?
N-benzyl-4-oxo-4-[2-[4-(2-phenylethoxy)benzoyl]hydrazinyl]butanamide has a molecular weight of 445.52 g/mol, XLogP of 3.17, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-oxo-4-[2-[4-(2-phenylethoxy)benzoyl]hydrazinyl]butanamide is sourced from PubChem (CID 4956632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).