2-(7-aminoheptylamino)-6-formyl-N-methyl-N'-(5-oxopentoxy)benzohydrazide

C21H34N4O4 — CID 163266159

IUPAC2-(7-aminoheptylamino)-6-formyl-N-methyl-N'-(5-oxopentoxy)benzohydrazide
SMILESCN(NOCCCCC=O)C(=O)c1c(C=O)cccc1NCCCCCCCN
InChIInChI=1S/C21H34N4O4/c1-25(24-29-16-9-5-8-15-26)21(28)20-18(17-27)11-10-12-19(20)23-14-7-4-2-3-6-13-22/h10-12,15,17,23-24H,2-9,13-14,16,22H2,1H3
InChIKeySRKLYIJFVNZLNE-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.70
Rot. Bonds17

About 2-(7-aminoheptylamino)-6-formyl-N-methyl-N'-(5-oxopentoxy)benzohydrazide

2-(7-aminoheptylamino)-6-formyl-N-methyl-N'-(5-oxopentoxy)benzohydrazide (PubChem CID 163266159) has the molecular formula C21H34N4O4 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-(7-aminoheptylamino)-6-formyl-N-methyl-N'-(5-oxopentoxy)benzohydrazide.

Molecular Properties

Compound Name2-(7-aminoheptylamino)-6-formyl-N-methyl-N'-(5-oxopentoxy)benzohydrazide
PubChem CID163266159
Molecular FormulaC21H34N4O4
Molecular Weight406.53 g/mol
Exact Mass406.26
IUPAC Name2-(7-aminoheptylamino)-6-formyl-N-methyl-N'-(5-oxopentoxy)benzohydrazide
SMILESCN(NOCCCCC=O)C(=O)c1c(C=O)cccc1NCCCCCCCN
InChIInChI=1S/C21H34N4O4/c1-25(24-29-16-9-5-8-15-26)21(28)20-18(17-27)11-10-12-19(20)23-14-7-4-2-3-6-13-22/h10-12,15,17,23-24H,2-9,13-14,16,22H2,1H3
InChIKeySRKLYIJFVNZLNE-UHFFFAOYSA-N
XLogP2.70
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethylamino)-N-(1,5-dioxopentan-2-yl)-6-formyl-N-methylbenzamide;N-methylmethanamine
CID 163266221
7-[[2-[3-formyl-2-[methyl-[1-(methylamino)-1,5-dioxopentan-2-yl]carbamoyl]anilino]acetyl]amino]heptanoic acid
CID 167470955
N-(1,5-dioxopentan-2-yl)-2-formyl-N-methyl-6-(6-oxohexoxy)benzamide
CID 164592353
2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-formyl-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 170749250
4-[3-formyl-2-[methyl(1-oxopentan-2-yl)carbamoyl]anilino]butanoic acid
CID 155719125
N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-6-(12-oxododecylamino)benzamide;methanol
CID 155749242
3-[3-(4-aminobutoxy)propylamino]-N-[2-[[formamido(methyl)amino]methyl]-3-formylphenyl]propanamide
CID 156882816
2-hydroxy-3-(pentylamino)benzaldehyde
CID 88730085
N-(9-aminononyl)-9-oxononanamide
CID 174335255
N-(10-aminodecyl)-10-oxodecanamide
CID 174322290
butyl 3-(4-aminobutylamino)benzoate
CID 117097372
N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-(5-oxopentylamino)benzamide;methanol
CID 154690124

Frequently Asked Questions

What is the IUPAC name of 2-(7-aminoheptylamino)-6-formyl-N-methyl-N'-(5-oxopentoxy)benzohydrazide?
The IUPAC name of 2-(7-aminoheptylamino)-6-formyl-N-methyl-N'-(5-oxopentoxy)benzohydrazide (CID 163266159) is 2-(7-aminoheptylamino)-6-formyl-N-methyl-N'-(5-oxopentoxy)benzohydrazide.
What is the SMILES notation for 2-(7-aminoheptylamino)-6-formyl-N-methyl-N'-(5-oxopentoxy)benzohydrazide?
The canonical SMILES for 2-(7-aminoheptylamino)-6-formyl-N-methyl-N'-(5-oxopentoxy)benzohydrazide is CN(NOCCCCC=O)C(=O)c1c(C=O)cccc1NCCCCCCCN.
What is the InChIKey of 2-(7-aminoheptylamino)-6-formyl-N-methyl-N'-(5-oxopentoxy)benzohydrazide?
The InChIKey is SRKLYIJFVNZLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O4/c1-25(24-29-16-9-5-8-15-26)21(28)20-18(17-27)11-10-12-19(20)23-14-7-4-2-3-6-13-22/h10-12,15,17,23-24H,2-9,13-14,16,22H2,1H3.
What are the key properties of 2-(7-aminoheptylamino)-6-formyl-N-methyl-N'-(5-oxopentoxy)benzohydrazide?
2-(7-aminoheptylamino)-6-formyl-N-methyl-N'-(5-oxopentoxy)benzohydrazide has a molecular weight of 406.53 g/mol, XLogP of 2.70, 17 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-aminoheptylamino)-6-formyl-N-methyl-N'-(5-oxopentoxy)benzohydrazide is sourced from PubChem (CID 163266159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).