2-(4-butoxyphenyl)-N-[2-[[2-(4-butoxyphenyl)acetyl]hydrazinylidene]propylideneamino]acetamide

C27H36N4O4 — CID 6799100

IUPAC2-(4-butoxyphenyl)-N-[2-[[2-(4-butoxyphenyl)acetyl]hydrazinylidene]propylideneamino]acetamide
SMILESCCCCOc1ccc(CC(=O)NN=CC(C)=NNC(=O)Cc2ccc(OCCCC)cc2)cc1
InChIInChI=1S/C27H36N4O4/c1-4-6-16-34-24-12-8-22(9-13-24)18-26(32)30-28-20-21(3)29-31-27(33)19-23-10-14-25(15-11-23)35-17-7-5-2/h8-15,20H,4-7,16-19H2,1-3H3,(H,30,32)(H,31,33)
InChIKeyRDNUNTBMRUBAJG-UHFFFAOYSA-N
MW480.61 g/mol
LogP4.42
Rot. Bonds15

About 2-(4-butoxyphenyl)-N-[2-[[2-(4-butoxyphenyl)acetyl]hydrazinylidene]propylideneamino]acetamide

2-(4-butoxyphenyl)-N-[2-[[2-(4-butoxyphenyl)acetyl]hydrazinylidene]propylideneamino]acetamide (PubChem CID 6799100) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-N-[2-[[2-(4-butoxyphenyl)acetyl]hydrazinylidene]propylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-N-[2-[[2-(4-butoxyphenyl)acetyl]hydrazinylidene]propylideneamino]acetamide
PubChem CID6799100
Molecular FormulaC27H36N4O4
Molecular Weight480.61 g/mol
Exact Mass480.27
IUPAC Name2-(4-butoxyphenyl)-N-[2-[[2-(4-butoxyphenyl)acetyl]hydrazinylidene]propylideneamino]acetamide
SMILESCCCCOc1ccc(CC(=O)NN=CC(C)=NNC(=O)Cc2ccc(OCCCC)cc2)cc1
InChIInChI=1S/C27H36N4O4/c1-4-6-16-34-24-12-8-22(9-13-24)18-26(32)30-28-20-21(3)29-31-27(33)19-23-10-14-25(15-11-23)35-17-7-5-2/h8-15,20H,4-7,16-19H2,1-3H3,(H,30,32)(H,31,33)
InChIKeyRDNUNTBMRUBAJG-UHFFFAOYSA-N
XLogP4.42
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-propan-2-yloxyphenyl)-N-[(Z)-[(2Z)-2-[[2-(4-propan-2-yloxyphenyl)acetyl]hydrazinylidene]propylidene]amino]acetamide
CID 6413143
N-(hexan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 3778528
N-[(Z)-[2-(2-hexoxyphenyl)-2-oxoethylidene]amino]-2-phenylacetamide
CID 110515291
N-[(4-butoxyphenyl)methylideneamino]dodecanamide
CID 3705573
1-(4-butoxyphenyl)-3-hydroxypropan-2-one
CID 58028393
2-(4-pentoxyphenyl)acetate
CID 7009494
2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190683
N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
CID 6322467
N-(4-hexoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 4939326
3-(4-butoxyphenyl)-2-oxopropan-1-olate
CID 58028394
N-(butan-2-ylideneamino)-2-(4-methoxyphenyl)acetamide
CID 968760

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-N-[2-[[2-(4-butoxyphenyl)acetyl]hydrazinylidene]propylideneamino]acetamide?
The IUPAC name of 2-(4-butoxyphenyl)-N-[2-[[2-(4-butoxyphenyl)acetyl]hydrazinylidene]propylideneamino]acetamide (CID 6799100) is 2-(4-butoxyphenyl)-N-[2-[[2-(4-butoxyphenyl)acetyl]hydrazinylidene]propylideneamino]acetamide.
What is the SMILES notation for 2-(4-butoxyphenyl)-N-[2-[[2-(4-butoxyphenyl)acetyl]hydrazinylidene]propylideneamino]acetamide?
The canonical SMILES for 2-(4-butoxyphenyl)-N-[2-[[2-(4-butoxyphenyl)acetyl]hydrazinylidene]propylideneamino]acetamide is CCCCOc1ccc(CC(=O)NN=CC(C)=NNC(=O)Cc2ccc(OCCCC)cc2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-N-[2-[[2-(4-butoxyphenyl)acetyl]hydrazinylidene]propylideneamino]acetamide?
The InChIKey is RDNUNTBMRUBAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O4/c1-4-6-16-34-24-12-8-22(9-13-24)18-26(32)30-28-20-21(3)29-31-27(33)19-23-10-14-25(15-11-23)35-17-7-5-2/h8-15,20H,4-7,16-19H2,1-3H3,(H,30,32)(H,31,33).
What are the key properties of 2-(4-butoxyphenyl)-N-[2-[[2-(4-butoxyphenyl)acetyl]hydrazinylidene]propylideneamino]acetamide?
2-(4-butoxyphenyl)-N-[2-[[2-(4-butoxyphenyl)acetyl]hydrazinylidene]propylideneamino]acetamide has a molecular weight of 480.61 g/mol, XLogP of 4.42, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-N-[2-[[2-(4-butoxyphenyl)acetyl]hydrazinylidene]propylideneamino]acetamide is sourced from PubChem (CID 6799100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).