N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-4-nitrobenzamide

C15H19N3O5 — CID 141159838

IUPACN-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-4-nitrobenzamide
SMILESO=C(CN(CC1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1)NO
InChIInChI=1S/C15H19N3O5/c19-14(16-21)10-17(9-11-3-1-2-4-11)15(20)12-5-7-13(8-6-12)18(22)23/h5-8,11,21H,1-4,9-10H2,(H,16,19)
InChIKeyBTNMKCDBLLIBOB-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.73
Rot. Bonds6

About N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-4-nitrobenzamide

N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-4-nitrobenzamide (PubChem CID 141159838) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-4-nitrobenzamide
PubChem CID141159838
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC NameN-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-4-nitrobenzamide
SMILESO=C(CN(CC1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1)NO
InChIInChI=1S/C15H19N3O5/c19-14(16-21)10-17(9-11-3-1-2-4-11)15(20)12-5-7-13(8-6-12)18(22)23/h5-8,11,21H,1-4,9-10H2,(H,16,19)
InChIKeyBTNMKCDBLLIBOB-UHFFFAOYSA-N
XLogP1.73
TPSA112.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-4-nitrobenzamide?
The IUPAC name of N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-4-nitrobenzamide (CID 141159838) is N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-4-nitrobenzamide.
What is the SMILES notation for N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-4-nitrobenzamide?
The canonical SMILES for N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-4-nitrobenzamide is O=C(CN(CC1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1)NO.
What is the InChIKey of N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-4-nitrobenzamide?
The InChIKey is BTNMKCDBLLIBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c19-14(16-21)10-17(9-11-3-1-2-4-11)15(20)12-5-7-13(8-6-12)18(22)23/h5-8,11,21H,1-4,9-10H2,(H,16,19).
What are the key properties of N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-4-nitrobenzamide?
N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-4-nitrobenzamide has a molecular weight of 321.33 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N-[2-(hydroxyamino)-2-oxoethyl]-4-nitrobenzamide is sourced from PubChem (CID 141159838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).