N-formyl-4-[[2-formyl-5-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethyl]phenyl]methyl-methylamino]pentanamide

C25H40N2O7 — CID 156883099

IUPACN-formyl-4-[[2-formyl-5-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethyl]phenyl]methyl-methylamino]pentanamide
SMILESCCC(O)COCCOCCOCCc1ccc(C=O)c(CN(C)C(C)CCC(=O)NC=O)c1
InChIInChI=1S/C25H40N2O7/c1-4-24(30)18-34-14-13-33-12-11-32-10-9-21-6-7-22(17-28)23(15-21)16-27(3)20(2)5-8-25(31)26-19-29/h6-7,15,17,19-20,24,30H,4-5,8-14,16,18H2,1-3H3,(H,26,29,31)
InChIKeyGVXAUQNDYJCHTK-UHFFFAOYSA-N
MW480.60 g/mol
LogP1.74
Rot. Bonds20

About N-formyl-4-[[2-formyl-5-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethyl]phenyl]methyl-methylamino]pentanamide

N-formyl-4-[[2-formyl-5-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethyl]phenyl]methyl-methylamino]pentanamide (PubChem CID 156883099) has the molecular formula C25H40N2O7 and a molecular weight of 480.60 g/mol. Its IUPAC name is N-formyl-4-[[2-formyl-5-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethyl]phenyl]methyl-methylamino]pentanamide.

Molecular Properties

Compound NameN-formyl-4-[[2-formyl-5-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethyl]phenyl]methyl-methylamino]pentanamide
PubChem CID156883099
Molecular FormulaC25H40N2O7
Molecular Weight480.60 g/mol
Exact Mass480.28
IUPAC NameN-formyl-4-[[2-formyl-5-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethyl]phenyl]methyl-methylamino]pentanamide
SMILESCCC(O)COCCOCCOCCc1ccc(C=O)c(CN(C)C(C)CCC(=O)NC=O)c1
InChIInChI=1S/C25H40N2O7/c1-4-24(30)18-34-14-13-33-12-11-32-10-9-21-6-7-22(17-28)23(15-21)16-27(3)20(2)5-8-25(31)26-19-29/h6-7,15,17,19-20,24,30H,4-5,8-14,16,18H2,1-3H3,(H,26,29,31)
InChIKeyGVXAUQNDYJCHTK-UHFFFAOYSA-N
XLogP1.74
TPSA114.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.60
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-[[5-[2-[3-[5-(3-ethylphenoxy)pentoxy]propoxy]ethylamino]-2-formylphenyl]methyl-methylamino]-N-formylpentanamide
CID 164592602
N-formyl-4-[[2-formyl-6-[3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]propanoylamino]phenyl]methyl-methylamino]pentanamide
CID 166715214
2-[2-[2-(3-amino-2-hydroxypropoxy)ethoxy]ethoxy]-N-[3-[[formamido(methyl)amino]methyl]-4-formylphenyl]acetamide
CID 156882898
N-formyl-4-[(6-formyl-2-methyl-3-piperidin-2-ylphenyl)methyl-methylamino]pentanamide
CID 174263043
4-hydroxy-2-[[5-methoxyhexan-2-yl(methyl)amino]methyl]benzaldehyde
CID 178140157
N-ethenyl-2-[[2-formyl-5-[(hydroxyamino)methyl]phenyl]methyl-methylamino]pentanamide
CID 169243530
3-[2-[2-[3-[3-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-formylphenyl]propoxy]ethoxy]ethoxy]propanoic acid
CID 167469905
4-(dimethylamino)-N-formylpentanamide;4-piperazin-1-ylphthalaldehyde
CID 163267553
1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol
CID 12645981
4-(5-ethyl-2-fluorophenyl)sulfanyl-N-formylpentanamide
CID 170951735
N-[3-formyl-2-[[methyl(5-oxopentan-2-yl)amino]methyl]phenyl]-3-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethylamino]propanamide
CID 166714864
3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid
CID 163504647

Frequently Asked Questions

What is the IUPAC name of N-formyl-4-[[2-formyl-5-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethyl]phenyl]methyl-methylamino]pentanamide?
The IUPAC name of N-formyl-4-[[2-formyl-5-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethyl]phenyl]methyl-methylamino]pentanamide (CID 156883099) is N-formyl-4-[[2-formyl-5-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethyl]phenyl]methyl-methylamino]pentanamide.
What is the SMILES notation for N-formyl-4-[[2-formyl-5-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethyl]phenyl]methyl-methylamino]pentanamide?
The canonical SMILES for N-formyl-4-[[2-formyl-5-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethyl]phenyl]methyl-methylamino]pentanamide is CCC(O)COCCOCCOCCc1ccc(C=O)c(CN(C)C(C)CCC(=O)NC=O)c1.
What is the InChIKey of N-formyl-4-[[2-formyl-5-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethyl]phenyl]methyl-methylamino]pentanamide?
The InChIKey is GVXAUQNDYJCHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2O7/c1-4-24(30)18-34-14-13-33-12-11-32-10-9-21-6-7-22(17-28)23(15-21)16-27(3)20(2)5-8-25(31)26-19-29/h6-7,15,17,19-20,24,30H,4-5,8-14,16,18H2,1-3H3,(H,26,29,31).
What are the key properties of N-formyl-4-[[2-formyl-5-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethyl]phenyl]methyl-methylamino]pentanamide?
N-formyl-4-[[2-formyl-5-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethyl]phenyl]methyl-methylamino]pentanamide has a molecular weight of 480.60 g/mol, XLogP of 1.74, 20 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-4-[[2-formyl-5-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethyl]phenyl]methyl-methylamino]pentanamide is sourced from PubChem (CID 156883099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).