N-ethenyl-2-[[2-formyl-5-[(hydroxyamino)methyl]phenyl]methyl-methylamino]pentanamide

C17H25N3O3 — CID 169243530

IUPACN-ethenyl-2-[[2-formyl-5-[(hydroxyamino)methyl]phenyl]methyl-methylamino]pentanamide
SMILESC=CNC(=O)C(CCC)N(C)Cc1cc(CNO)ccc1C=O
InChIInChI=1S/C17H25N3O3/c1-4-6-16(17(22)18-5-2)20(3)11-15-9-13(10-19-23)7-8-14(15)12-21/h5,7-9,12,16,19,23H,2,4,6,10-11H2,1,3H3,(H,18,22)
InChIKeyFBGAPPKUWSKDCG-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.84
Rot. Bonds10

About N-ethenyl-2-[[2-formyl-5-[(hydroxyamino)methyl]phenyl]methyl-methylamino]pentanamide

N-ethenyl-2-[[2-formyl-5-[(hydroxyamino)methyl]phenyl]methyl-methylamino]pentanamide (PubChem CID 169243530) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-ethenyl-2-[[2-formyl-5-[(hydroxyamino)methyl]phenyl]methyl-methylamino]pentanamide.

Molecular Properties

Compound NameN-ethenyl-2-[[2-formyl-5-[(hydroxyamino)methyl]phenyl]methyl-methylamino]pentanamide
PubChem CID169243530
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-ethenyl-2-[[2-formyl-5-[(hydroxyamino)methyl]phenyl]methyl-methylamino]pentanamide
SMILESC=CNC(=O)C(CCC)N(C)Cc1cc(CNO)ccc1C=O
InChIInChI=1S/C17H25N3O3/c1-4-6-16(17(22)18-5-2)20(3)11-15-9-13(10-19-23)7-8-14(15)12-21/h5,7-9,12,16,19,23H,2,4,6,10-11H2,1,3H3,(H,18,22)
InChIKeyFBGAPPKUWSKDCG-UHFFFAOYSA-N
XLogP1.84
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethenyl-2-[[2-formyl-5-[(hydroxyamino)methyl]phenyl]methyl-methylamino]pentanamide 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

2-[[2-ethenyl-5-[7-(methylamino)heptyl]phenyl]methyl-methylamino]-N-methylhex-5-enamide
CID 174198783
2-[[5-(azetidin-3-yl)-2-formylphenyl]methyl-methylamino]-N-methyl-5-oxopentanamide
CID 170980066
2-[methyl-[(4-methylphenyl)methyl]amino]pentanehydrazide
CID 83047917
N-formyl-4-[[2-formyl-5-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethyl]phenyl]methyl-methylamino]pentanamide
CID 156883099
2,4-dipentylbenzaldehyde
CID 19008550
4-hydroxy-2-[[5-methoxyhexan-2-yl(methyl)amino]methyl]benzaldehyde
CID 178140157
4-fluoro-2-[(hydroxyamino)methyl]benzaldehyde
CID 117276677
4-(ethylaminomethyl)-2-methylbenzaldehyde
CID 166723974
N-formyl-2-[[2-formyl-6-[4-[2-[2-[2-(methylamino)ethoxy]ethylamino]ethoxy]but-1-ynyl]phenyl]methyl-methylamino]pentanamide
CID 156883056
2-(7-aminoheptylsulfanyl)-N-(1-formamido-1-oxopentan-2-yl)-6-formyl-N-methylbenzamide
CID 166921314
formamide;N-[[4-[[4-[(hydroxyamino)methyl]phenyl]methyl]phenyl]methyl]hydroxylamine
CID 19038353
4-formyl-3-[[methyl(pentyl)amino]methyl]benzoic acid
CID 169026768

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-[[2-formyl-5-[(hydroxyamino)methyl]phenyl]methyl-methylamino]pentanamide?
The IUPAC name of N-ethenyl-2-[[2-formyl-5-[(hydroxyamino)methyl]phenyl]methyl-methylamino]pentanamide (CID 169243530) is N-ethenyl-2-[[2-formyl-5-[(hydroxyamino)methyl]phenyl]methyl-methylamino]pentanamide.
What is the SMILES notation for N-ethenyl-2-[[2-formyl-5-[(hydroxyamino)methyl]phenyl]methyl-methylamino]pentanamide?
The canonical SMILES for N-ethenyl-2-[[2-formyl-5-[(hydroxyamino)methyl]phenyl]methyl-methylamino]pentanamide is C=CNC(=O)C(CCC)N(C)Cc1cc(CNO)ccc1C=O.
What is the InChIKey of N-ethenyl-2-[[2-formyl-5-[(hydroxyamino)methyl]phenyl]methyl-methylamino]pentanamide?
The InChIKey is FBGAPPKUWSKDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-4-6-16(17(22)18-5-2)20(3)11-15-9-13(10-19-23)7-8-14(15)12-21/h5,7-9,12,16,19,23H,2,4,6,10-11H2,1,3H3,(H,18,22).
What are the key properties of N-ethenyl-2-[[2-formyl-5-[(hydroxyamino)methyl]phenyl]methyl-methylamino]pentanamide?
N-ethenyl-2-[[2-formyl-5-[(hydroxyamino)methyl]phenyl]methyl-methylamino]pentanamide has a molecular weight of 319.41 g/mol, XLogP of 1.84, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-[[2-formyl-5-[(hydroxyamino)methyl]phenyl]methyl-methylamino]pentanamide is sourced from PubChem (CID 169243530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).