N-[1-(ethoxymethoxy)-5-(hydroxyamino)-5-oxopentan-2-yl]-4-nitrobenzamide

C15H21N3O7 — CID 22344777

IUPACN-[1-(ethoxymethoxy)-5-(hydroxyamino)-5-oxopentan-2-yl]-4-nitrobenzamide
SMILESCCOCOCC(CCC(=O)NO)NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H21N3O7/c1-2-24-10-25-9-12(5-8-14(19)17-21)16-15(20)11-3-6-13(7-4-11)18(22)23/h3-4,6-7,12,21H,2,5,8-10H2,1H3,(H,16,20)(H,17,19)
InChIKeyCOMPEQNWYZIHTD-UHFFFAOYSA-N
MW355.35 g/mol
LogP0.99
Rot. Bonds11

About N-[1-(ethoxymethoxy)-5-(hydroxyamino)-5-oxopentan-2-yl]-4-nitrobenzamide

N-[1-(ethoxymethoxy)-5-(hydroxyamino)-5-oxopentan-2-yl]-4-nitrobenzamide (PubChem CID 22344777) has the molecular formula C15H21N3O7 and a molecular weight of 355.35 g/mol. Its IUPAC name is N-[1-(ethoxymethoxy)-5-(hydroxyamino)-5-oxopentan-2-yl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[1-(ethoxymethoxy)-5-(hydroxyamino)-5-oxopentan-2-yl]-4-nitrobenzamide
PubChem CID22344777
Molecular FormulaC15H21N3O7
Molecular Weight355.35 g/mol
Exact Mass355.14
IUPAC NameN-[1-(ethoxymethoxy)-5-(hydroxyamino)-5-oxopentan-2-yl]-4-nitrobenzamide
SMILESCCOCOCC(CCC(=O)NO)NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H21N3O7/c1-2-24-10-25-9-12(5-8-14(19)17-21)16-15(20)11-3-6-13(7-4-11)18(22)23/h3-4,6-7,12,21H,2,5,8-10H2,1H3,(H,16,20)(H,17,19)
InChIKeyCOMPEQNWYZIHTD-UHFFFAOYSA-N
XLogP0.99
TPSA140.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-(ethoxymethoxy)-5-(hydroxyamino)-5-oxopentan-2-yl]-4-nitrobenzamide 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

N-[(2S,4S)-1-(ethoxymethoxy)-5-(hydroxyamino)-4-methyl-5-oxopentan-2-yl]-4-nitrobenzamide
CID 22093743
N-[4-(1-benzothiophen-3-ylmethyl)-1-(ethoxymethoxy)-5-(hydroxyamino)-5-oxopentan-2-yl]-4-nitrobenzamide
CID 22094030
N-[(2S,4S)-1-(ethoxymethoxy)-5-(hydroxyamino)-4-methyl-5-oxopentan-2-yl]-3-hydroxy-4-nitrobenzamide
CID 22093732
4-bromo-N-[(2S,4S)-1-(ethoxymethoxy)-5-(hydroxyamino)-4-methyl-5-oxopentan-2-yl]benzamide
CID 22093737
N-[(2S,4S)-1-(ethoxymethoxy)-5-(hydroxyamino)-4-methyl-5-oxopentan-2-yl]-N-methyl-4-nitrobenzamide
CID 59901549
N-[1-(ethoxymethoxy)-5-(hydroxyamino)-4-methyl-5-oxopentan-2-yl]-N-methyl-4-nitrobenzamide
CID 22093988
N-(1-hydroxy-4-methylpentan-3-yl)-4-nitrobenzamide
CID 103751033
N-[(2R)-3-methylbutan-2-yl]-4-nitrobenzamide
CID 92515236
methyl 2-[3-[(4-nitrobenzoyl)amino]propanoylamino]propanoate
CID 52988701
5-(ethoxymethoxy)-2-methyl-4-[methyl-(4-nitrobenzoyl)amino]pentanoic acid
CID 22093934
4-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9299693
propan-2-yl (2S)-2-[(4-nitrobenzoyl)amino]propanoate
CID 14150716

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethoxymethoxy)-5-(hydroxyamino)-5-oxopentan-2-yl]-4-nitrobenzamide?
The IUPAC name of N-[1-(ethoxymethoxy)-5-(hydroxyamino)-5-oxopentan-2-yl]-4-nitrobenzamide (CID 22344777) is N-[1-(ethoxymethoxy)-5-(hydroxyamino)-5-oxopentan-2-yl]-4-nitrobenzamide.
What is the SMILES notation for N-[1-(ethoxymethoxy)-5-(hydroxyamino)-5-oxopentan-2-yl]-4-nitrobenzamide?
The canonical SMILES for N-[1-(ethoxymethoxy)-5-(hydroxyamino)-5-oxopentan-2-yl]-4-nitrobenzamide is CCOCOCC(CCC(=O)NO)NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[1-(ethoxymethoxy)-5-(hydroxyamino)-5-oxopentan-2-yl]-4-nitrobenzamide?
The InChIKey is COMPEQNWYZIHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O7/c1-2-24-10-25-9-12(5-8-14(19)17-21)16-15(20)11-3-6-13(7-4-11)18(22)23/h3-4,6-7,12,21H,2,5,8-10H2,1H3,(H,16,20)(H,17,19).
What are the key properties of N-[1-(ethoxymethoxy)-5-(hydroxyamino)-5-oxopentan-2-yl]-4-nitrobenzamide?
N-[1-(ethoxymethoxy)-5-(hydroxyamino)-5-oxopentan-2-yl]-4-nitrobenzamide has a molecular weight of 355.35 g/mol, XLogP of 0.99, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethoxymethoxy)-5-(hydroxyamino)-5-oxopentan-2-yl]-4-nitrobenzamide is sourced from PubChem (CID 22344777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).