4-(methoxymethyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide

C17H23N3O4 — CID 8623673

IUPAC4-(methoxymethyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
SMILESCOCc1ccc(C(=O)NNC(=O)CN2CCCCCC2=O)cc1
InChIInChI=1S/C17H23N3O4/c1-24-12-13-6-8-14(9-7-13)17(23)19-18-15(21)11-20-10-4-2-3-5-16(20)22/h6-9H,2-5,10-12H2,1H3,(H,18,21)(H,19,23)
InChIKeyPSXXFBCTZSARGS-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.00
Rot. Bonds5

About 4-(methoxymethyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide

4-(methoxymethyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide (PubChem CID 8623673) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-(methoxymethyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-(methoxymethyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
PubChem CID8623673
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name4-(methoxymethyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
SMILESCOCc1ccc(C(=O)NNC(=O)CN2CCCCCC2=O)cc1
InChIInChI=1S/C17H23N3O4/c1-24-12-13-6-8-14(9-7-13)17(23)19-18-15(21)11-20-10-4-2-3-5-16(20)22/h6-9H,2-5,10-12H2,1H3,(H,18,21)(H,19,23)
InChIKeyPSXXFBCTZSARGS-UHFFFAOYSA-N
XLogP1.00
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.00
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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Related Compounds

4-methylsulfonyl-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 9218921
N'-[2-(2-oxoazepan-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9185791
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727549
2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide
CID 55738531
N'-[2-(4-tert-butylphenoxy)acetyl]-2-(2-oxoazepan-1-yl)acetohydrazide
CID 9218948
1-[(4-methoxyphenyl)methyl]-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea
CID 8677198
3-nitro-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 9218965
2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide
CID 47116839
N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide
CID 9218984
4-(3,4-dimethylphenyl)-4-oxo-N'-[2-(2-oxoazepan-1-yl)acetyl]butanehydrazide
CID 9186151
4-[[[2-(2-oxoazocan-1-yl)acetyl]amino]methyl]benzoic acid
CID 119165488
5-chloro-2-fluoro-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 9093083

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide?
The IUPAC name of 4-(methoxymethyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide (CID 8623673) is 4-(methoxymethyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide.
What is the SMILES notation for 4-(methoxymethyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide?
The canonical SMILES for 4-(methoxymethyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide is COCc1ccc(C(=O)NNC(=O)CN2CCCCCC2=O)cc1.
What is the InChIKey of 4-(methoxymethyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide?
The InChIKey is PSXXFBCTZSARGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-24-12-13-6-8-14(9-7-13)17(23)19-18-15(21)11-20-10-4-2-3-5-16(20)22/h6-9H,2-5,10-12H2,1H3,(H,18,21)(H,19,23).
What are the key properties of 4-(methoxymethyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide?
4-(methoxymethyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide has a molecular weight of 333.39 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide is sourced from PubChem (CID 8623673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).