2-formyl-4-[5-(4-hydroxybutoxy)pentoxy]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide

C24H36N2O7 — CID 142365374

IUPAC2-formyl-4-[5-(4-hydroxybutoxy)pentoxy]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
SMILESCNC(=O)C(CCC=O)N(C)C(=O)c1ccc(OCCCCCOCCCCO)cc1C=O
InChIInChI=1S/C24H36N2O7/c1-25-23(30)22(9-8-13-28)26(2)24(31)21-11-10-20(17-19(21)18-29)33-16-6-3-5-14-32-15-7-4-12-27/h10-11,13,17-18,22,27H,3-9,12,14-16H2,1-2H3,(H,25,30)
InChIKeyADUNLKPUUICHRL-UHFFFAOYSA-N
MW464.56 g/mol
LogP2.00
Rot. Bonds18

About 2-formyl-4-[5-(4-hydroxybutoxy)pentoxy]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide

2-formyl-4-[5-(4-hydroxybutoxy)pentoxy]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide (PubChem CID 142365374) has the molecular formula C24H36N2O7 and a molecular weight of 464.56 g/mol. Its IUPAC name is 2-formyl-4-[5-(4-hydroxybutoxy)pentoxy]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide.

Molecular Properties

Compound Name2-formyl-4-[5-(4-hydroxybutoxy)pentoxy]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
PubChem CID142365374
Molecular FormulaC24H36N2O7
Molecular Weight464.56 g/mol
Exact Mass464.25
IUPAC Name2-formyl-4-[5-(4-hydroxybutoxy)pentoxy]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
SMILESCNC(=O)C(CCC=O)N(C)C(=O)c1ccc(OCCCCCOCCCCO)cc1C=O
InChIInChI=1S/C24H36N2O7/c1-25-23(30)22(9-8-13-28)26(2)24(31)21-11-10-20(17-19(21)18-29)33-16-6-3-5-14-32-15-7-4-12-27/h10-11,13,17-18,22,27H,3-9,12,14-16H2,1-2H3,(H,25,30)
InChIKeyADUNLKPUUICHRL-UHFFFAOYSA-N
XLogP2.00
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-formyl-4-[5-(4-hydroxybutoxy)pentoxy]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-difluoro-2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 169257425
ethane;2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 171641510
2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]benzamide
CID 167282781
2-(diformylamino)-N-methyl-5-oxopentanamide;4-[5-(3,4-dimethylphenoxy)pentoxy]benzoic acid
CID 156711601
5-fluoro-N,2-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 170737850
6-[2-[2-[6-(3,4-dihydro-2H-chromen-6-yloxy)hexoxy]ethoxy]ethoxy]-N-[3-formyl-2-[[methyl-[1-(methylamino)-1,5-dioxopentan-2-yl]amino]methyl]phenyl]hexanamide
CID 170004383
5-[3-[3-(4-aminopiperidin-1-yl)sulfinylphenoxy]azetidin-1-yl]-2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 178004803
5-[6-(6-amino-3-pyridinyl)hexoxy]-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 155583753
5-(6-hydroxyhexoxy)-2-prop-1-enylbenzaldehyde
CID 91183651
2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-5-[4-[1-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-4-yl]piperazin-1-yl]benzamide
CID 167480630
tert-butyl 9-[4-formyl-3-[methyl-[1-(methylamino)-1,5-dioxopentan-2-yl]carbamoyl]phenyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 178055584
2-[(Z)-5-(4,4-dimethyl-2-oxopentoxy)pent-1-enyl]-N,6-dimethyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 167164140

Frequently Asked Questions

What is the IUPAC name of 2-formyl-4-[5-(4-hydroxybutoxy)pentoxy]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
The IUPAC name of 2-formyl-4-[5-(4-hydroxybutoxy)pentoxy]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide (CID 142365374) is 2-formyl-4-[5-(4-hydroxybutoxy)pentoxy]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide.
What is the SMILES notation for 2-formyl-4-[5-(4-hydroxybutoxy)pentoxy]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
The canonical SMILES for 2-formyl-4-[5-(4-hydroxybutoxy)pentoxy]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide is CNC(=O)C(CCC=O)N(C)C(=O)c1ccc(OCCCCCOCCCCO)cc1C=O.
What is the InChIKey of 2-formyl-4-[5-(4-hydroxybutoxy)pentoxy]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
The InChIKey is ADUNLKPUUICHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O7/c1-25-23(30)22(9-8-13-28)26(2)24(31)21-11-10-20(17-19(21)18-29)33-16-6-3-5-14-32-15-7-4-12-27/h10-11,13,17-18,22,27H,3-9,12,14-16H2,1-2H3,(H,25,30).
What are the key properties of 2-formyl-4-[5-(4-hydroxybutoxy)pentoxy]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide?
2-formyl-4-[5-(4-hydroxybutoxy)pentoxy]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide has a molecular weight of 464.56 g/mol, XLogP of 2.00, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-4-[5-(4-hydroxybutoxy)pentoxy]-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide is sourced from PubChem (CID 142365374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).