N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]-4-nitrobenzamide

C14H18N4O6 — CID 46890621

IUPACN-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]-4-nitrobenzamide
SMILESO=C(CCCCCNC(=O)NC(=O)c1ccc([N+](=O)[O-])cc1)NO
InChIInChI=1S/C14H18N4O6/c19-12(17-22)4-2-1-3-9-15-14(21)16-13(20)10-5-7-11(8-6-10)18(23)24/h5-8,22H,1-4,9H2,(H,17,19)(H2,15,16,20,21)
InChIKeyKVLGBDQRHFSXJT-UHFFFAOYSA-N
MW338.32 g/mol
LogP1.10
Rot. Bonds8

About N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]-4-nitrobenzamide

N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]-4-nitrobenzamide (PubChem CID 46890621) has the molecular formula C14H18N4O6 and a molecular weight of 338.32 g/mol. Its IUPAC name is N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]-4-nitrobenzamide
PubChem CID46890621
Molecular FormulaC14H18N4O6
Molecular Weight338.32 g/mol
Exact Mass338.12
IUPAC NameN-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]-4-nitrobenzamide
SMILESO=C(CCCCCNC(=O)NC(=O)c1ccc([N+](=O)[O-])cc1)NO
InChIInChI=1S/C14H18N4O6/c19-12(17-22)4-2-1-3-9-15-14(21)16-13(20)10-5-7-11(8-6-10)18(23)24/h5-8,22H,1-4,9H2,(H,17,19)(H2,15,16,20,21)
InChIKeyKVLGBDQRHFSXJT-UHFFFAOYSA-N
XLogP1.10
TPSA150.67 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'}

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Related Compounds

4-nitro-N-octadecanoylbenzamide
CID 102032095
4-nitro-N-(7-nitro-6-oxoheptyl)benzamide
CID 2345171
N-hydroxy-5-(4-nitrophenyl)pentanamide
CID 142619075
N-(heptylcarbamothioyl)-4-nitrobenzamide
CID 3480658
sodium 4-[(4-nitrobenzoyl)amino]butanoate
CID 133269640
1-(4-nitrophenyl)-3-[6-[(4-nitrophenyl)carbamoylamino]hexyl]urea
CID 136817257
(2S)-2-[[(4S)-4-carboxy-4-[8-[(4-nitrobenzoyl)amino]octanoylamino]butanoyl]amino]butanedioic acid
CID 11678417
CID 23358530
CID 23358530
N-(3-chloropropyl)-4-nitrobenzamide
CID 3421653
4-nitro-N-(3-silylpropyl)benzamide
CID 123594916
6-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(4-nitrophenyl)prop-2-enoyl]amino]-N-hydroxyhexanamide
CID 74374698
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide
CID 122548362

Frequently Asked Questions

What is the IUPAC name of N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]-4-nitrobenzamide?
The IUPAC name of N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]-4-nitrobenzamide (CID 46890621) is N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]-4-nitrobenzamide.
What is the SMILES notation for N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]-4-nitrobenzamide?
The canonical SMILES for N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]-4-nitrobenzamide is O=C(CCCCCNC(=O)NC(=O)c1ccc([N+](=O)[O-])cc1)NO.
What is the InChIKey of N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]-4-nitrobenzamide?
The InChIKey is KVLGBDQRHFSXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O6/c19-12(17-22)4-2-1-3-9-15-14(21)16-13(20)10-5-7-11(8-6-10)18(23)24/h5-8,22H,1-4,9H2,(H,17,19)(H2,15,16,20,21).
What are the key properties of N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]-4-nitrobenzamide?
N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]-4-nitrobenzamide has a molecular weight of 338.32 g/mol, XLogP of 1.10, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(hydroxyamino)-6-oxohexyl]carbamoyl]-4-nitrobenzamide is sourced from PubChem (CID 46890621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).