1-N',9-N'-bis(4-prop-2-enoxybenzoyl)nonanedihydrazide

C29H36N4O6 — CID 4926340

IUPAC1-N',9-N'-bis(4-prop-2-enoxybenzoyl)nonanedihydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2ccc(OCC=C)cc2)cc1
InChIInChI=1S/C29H36N4O6/c1-3-20-38-24-16-12-22(13-17-24)28(36)32-30-26(34)10-8-6-5-7-9-11-27(35)31-33-29(37)23-14-18-25(19-15-23)39-21-4-2/h3-4,12-19H,1-2,5-11,20-21H2,(H,30,34)(H,31,35)(H,32,36)(H,33,37)
InChIKeyKAJHYVULDBLDKS-UHFFFAOYSA-N
MW536.63 g/mol
LogP3.77
Rot. Bonds16

About 1-N',9-N'-bis(4-prop-2-enoxybenzoyl)nonanedihydrazide

1-N',9-N'-bis(4-prop-2-enoxybenzoyl)nonanedihydrazide (PubChem CID 4926340) has the molecular formula C29H36N4O6 and a molecular weight of 536.63 g/mol. Its IUPAC name is 1-N',9-N'-bis(4-prop-2-enoxybenzoyl)nonanedihydrazide.

Molecular Properties

Compound Name1-N',9-N'-bis(4-prop-2-enoxybenzoyl)nonanedihydrazide
PubChem CID4926340
Molecular FormulaC29H36N4O6
Molecular Weight536.63 g/mol
Exact Mass536.26
IUPAC Name1-N',9-N'-bis(4-prop-2-enoxybenzoyl)nonanedihydrazide
SMILESC=CCOc1ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2ccc(OCC=C)cc2)cc1
InChIInChI=1S/C29H36N4O6/c1-3-20-38-24-16-12-22(13-17-24)28(36)32-30-26(34)10-8-6-5-7-9-11-27(35)31-33-29(37)23-14-18-25(19-15-23)39-21-4-2/h3-4,12-19H,1-2,5-11,20-21H2,(H,30,34)(H,31,35)(H,32,36)(H,33,37)
InChIKeyKAJHYVULDBLDKS-UHFFFAOYSA-N
XLogP3.77
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.63
LogP ≤ 53.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide
CID 54790852
N'-[2-(4-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4925883
N'-[2-(4-tert-butylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4945083
1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide
CID 3123941
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 4952150
N'-(2-naphthalen-1-ylacetyl)-4-prop-2-enoxybenzohydrazide
CID 4925965
N'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 17141451
3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 4926011
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4925933
N'-butanoyl-4-butoxybenzohydrazide
CID 17340318
N'-heptanoyl-4-(3-methylbutoxy)benzohydrazide
CID 54789257

Frequently Asked Questions

What is the IUPAC name of 1-N',9-N'-bis(4-prop-2-enoxybenzoyl)nonanedihydrazide?
The IUPAC name of 1-N',9-N'-bis(4-prop-2-enoxybenzoyl)nonanedihydrazide (CID 4926340) is 1-N',9-N'-bis(4-prop-2-enoxybenzoyl)nonanedihydrazide.
What is the SMILES notation for 1-N',9-N'-bis(4-prop-2-enoxybenzoyl)nonanedihydrazide?
The canonical SMILES for 1-N',9-N'-bis(4-prop-2-enoxybenzoyl)nonanedihydrazide is C=CCOc1ccc(C(=O)NNC(=O)CCCCCCCC(=O)NNC(=O)c2ccc(OCC=C)cc2)cc1.
What is the InChIKey of 1-N',9-N'-bis(4-prop-2-enoxybenzoyl)nonanedihydrazide?
The InChIKey is KAJHYVULDBLDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O6/c1-3-20-38-24-16-12-22(13-17-24)28(36)32-30-26(34)10-8-6-5-7-9-11-27(35)31-33-29(37)23-14-18-25(19-15-23)39-21-4-2/h3-4,12-19H,1-2,5-11,20-21H2,(H,30,34)(H,31,35)(H,32,36)(H,33,37).
What are the key properties of 1-N',9-N'-bis(4-prop-2-enoxybenzoyl)nonanedihydrazide?
1-N',9-N'-bis(4-prop-2-enoxybenzoyl)nonanedihydrazide has a molecular weight of 536.63 g/mol, XLogP of 3.77, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',9-N'-bis(4-prop-2-enoxybenzoyl)nonanedihydrazide is sourced from PubChem (CID 4926340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).