N-(2-hydroxypentyl)-2-methoxy-5-nitrobenzamide

C13H18N2O5 — CID 115700529

IUPACN-(2-hydroxypentyl)-2-methoxy-5-nitrobenzamide
SMILESCCCC(O)CNC(=O)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C13H18N2O5/c1-3-4-10(16)8-14-13(17)11-7-9(15(18)19)5-6-12(11)20-2/h5-7,10,16H,3-4,8H2,1-2H3,(H,14,17)
InChIKeyNJAJVBONVHRDFI-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.49
Rot. Bonds7

About N-(2-hydroxypentyl)-2-methoxy-5-nitrobenzamide

N-(2-hydroxypentyl)-2-methoxy-5-nitrobenzamide (PubChem CID 115700529) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(2-hydroxypentyl)-2-methoxy-5-nitrobenzamide.

Molecular Properties

Compound NameN-(2-hydroxypentyl)-2-methoxy-5-nitrobenzamide
PubChem CID115700529
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC NameN-(2-hydroxypentyl)-2-methoxy-5-nitrobenzamide
SMILESCCCC(O)CNC(=O)c1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C13H18N2O5/c1-3-4-10(16)8-14-13(17)11-7-9(15(18)19)5-6-12(11)20-2/h5-7,10,16H,3-4,8H2,1-2H3,(H,14,17)
InChIKeyNJAJVBONVHRDFI-UHFFFAOYSA-N
XLogP1.49
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-3-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid
CID 106107789
2-methoxy-5-nitro-N-prop-2-ynylbenzamide
CID 18110111
N-(2-chloroprop-2-enyl)-2-methoxy-5-nitrobenzamide
CID 113238601
N-[(2S)-2-hydroxypropyl]-2-methoxy-4-nitrobenzamide
CID 113452647
2-[[(2-methoxy-4-nitrobenzoyl)amino]methyl]butanoic acid
CID 104783302
N-(3-ethoxypropyl)-2-methoxy-5-nitrobenzamide
CID 27680733
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methoxy-5-nitrobenzamide
CID 51219587
N-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide
CID 120650717
2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide
CID 9270256
N-(2-hydroxypentyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 115754448
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-methoxy-5-nitrobenzamide
CID 25480247
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methoxy-5-nitrobenzamide
CID 30856514

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypentyl)-2-methoxy-5-nitrobenzamide?
The IUPAC name of N-(2-hydroxypentyl)-2-methoxy-5-nitrobenzamide (CID 115700529) is N-(2-hydroxypentyl)-2-methoxy-5-nitrobenzamide.
What is the SMILES notation for N-(2-hydroxypentyl)-2-methoxy-5-nitrobenzamide?
The canonical SMILES for N-(2-hydroxypentyl)-2-methoxy-5-nitrobenzamide is CCCC(O)CNC(=O)c1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of N-(2-hydroxypentyl)-2-methoxy-5-nitrobenzamide?
The InChIKey is NJAJVBONVHRDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-3-4-10(16)8-14-13(17)11-7-9(15(18)19)5-6-12(11)20-2/h5-7,10,16H,3-4,8H2,1-2H3,(H,14,17).
What are the key properties of N-(2-hydroxypentyl)-2-methoxy-5-nitrobenzamide?
N-(2-hydroxypentyl)-2-methoxy-5-nitrobenzamide has a molecular weight of 282.30 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypentyl)-2-methoxy-5-nitrobenzamide is sourced from PubChem (CID 115700529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).