N'-[2-(2-oxoazepan-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide

C19H25N3O3 — CID 9185791

IUPACN'-[2-(2-oxoazepan-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
SMILESO=C(CN1CCCCCC1=O)NNC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H25N3O3/c23-17(13-22-11-5-1-2-8-18(22)24)20-21-19(25)16-10-9-14-6-3-4-7-15(14)12-16/h9-10,12H,1-8,11,13H2,(H,20,23)(H,21,25)
InChIKeyHIMDTPGNRWODIF-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.73
Rot. Bonds3

About N'-[2-(2-oxoazepan-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide

N'-[2-(2-oxoazepan-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide (PubChem CID 9185791) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N'-[2-(2-oxoazepan-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-oxoazepan-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
PubChem CID9185791
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN'-[2-(2-oxoazepan-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
SMILESO=C(CN1CCCCCC1=O)NNC(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H25N3O3/c23-17(13-22-11-5-1-2-8-18(22)24)20-21-19(25)16-10-9-14-6-3-4-7-15(14)12-16/h9-10,12H,1-8,11,13H2,(H,20,23)(H,21,25)
InChIKeyHIMDTPGNRWODIF-UHFFFAOYSA-N
XLogP1.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(methoxymethyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 8623673
4-methylsulfonyl-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 9218921
3-nitro-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 9218965
3,4-dichloro-N-[2-oxo-2-[2-[2-(2-oxoazepan-1-yl)acetyl]hydrazinyl]ethyl]benzamide
CID 9218955
5-chloro-2-fluoro-N'-[2-(2-oxoazepan-1-yl)acetyl]benzohydrazide
CID 9093083
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727549
4-(3,4-dimethylphenyl)-4-oxo-N'-[2-(2-oxoazepan-1-yl)acetyl]butanehydrazide
CID 9186151
2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide
CID 55738531
N'-[2-(2-oxoazepan-1-yl)acetyl]-3-phenylpropanehydrazide
CID 9218984
2,5-dimethyl-N'-[2-(2-oxopiperidin-1-yl)acetyl]furan-3-carbohydrazide
CID 78866913
N'-benzoyl-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9471660
4-[[[2-(2-oxoazocan-1-yl)acetyl]amino]methyl]benzoic acid
CID 119165488

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-oxoazepan-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
The IUPAC name of N'-[2-(2-oxoazepan-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide (CID 9185791) is N'-[2-(2-oxoazepan-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2-oxoazepan-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
The canonical SMILES for N'-[2-(2-oxoazepan-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide is O=C(CN1CCCCCC1=O)NNC(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N'-[2-(2-oxoazepan-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
The InChIKey is HIMDTPGNRWODIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-17(13-22-11-5-1-2-8-18(22)24)20-21-19(25)16-10-9-14-6-3-4-7-15(14)12-16/h9-10,12H,1-8,11,13H2,(H,20,23)(H,21,25).
What are the key properties of N'-[2-(2-oxoazepan-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide?
N'-[2-(2-oxoazepan-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide has a molecular weight of 343.43 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-oxoazepan-1-yl)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide is sourced from PubChem (CID 9185791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).