N-ethyl-3-hydroxy-N-(1-methoxypropan-2-yl)-4-nitrobenzamide

C13H18N2O5 — CID 102741640

IUPACN-ethyl-3-hydroxy-N-(1-methoxypropan-2-yl)-4-nitrobenzamide
SMILESCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C(C)COC
InChIInChI=1S/C13H18N2O5/c1-4-14(9(2)8-20-3)13(17)10-5-6-11(15(18)19)12(16)7-10/h5-7,9,16H,4,8H2,1-3H3
InChIKeyBGRSNDZFHQQOGZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.80
Rot. Bonds6

About N-ethyl-3-hydroxy-N-(1-methoxypropan-2-yl)-4-nitrobenzamide

N-ethyl-3-hydroxy-N-(1-methoxypropan-2-yl)-4-nitrobenzamide (PubChem CID 102741640) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-N-(1-methoxypropan-2-yl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-ethyl-3-hydroxy-N-(1-methoxypropan-2-yl)-4-nitrobenzamide
PubChem CID102741640
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC NameN-ethyl-3-hydroxy-N-(1-methoxypropan-2-yl)-4-nitrobenzamide
SMILESCCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C(C)COC
InChIInChI=1S/C13H18N2O5/c1-4-14(9(2)8-20-3)13(17)10-5-6-11(15(18)19)12(16)7-10/h5-7,9,16H,4,8H2,1-3H3
InChIKeyBGRSNDZFHQQOGZ-UHFFFAOYSA-N
XLogP1.80
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
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

4-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-3-nitrobenzamide
CID 60741118
N-ethyl-4-hydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 55008658
3-hydroxy-4-nitro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 102741649
N-ethyl-2,5-difluoro-N-(1-methoxypropan-2-yl)-4-nitrobenzamide
CID 104699298
N-butan-2-yl-N-ethyl-3-(methylamino)-4-nitrobenzamide
CID 62681388
3-hydroxy-N-methyl-4-nitro-N-propylbenzamide
CID 113228241
6-bromo-N-ethyl-N-(1-methoxypropan-2-yl)naphthalene-2-carboxamide
CID 115283107
3-bromo-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 103841773
N-butan-2-yl-3-chloro-N-(2-methoxyethyl)-4-nitrobenzamide
CID 82778505
3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 103908083
N-(2-cyanoethyl)-3-hydroxy-N-(2-methoxyethyl)-4-nitrobenzamide
CID 103725271
4-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylbenzamide
CID 103957082

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydroxy-N-(1-methoxypropan-2-yl)-4-nitrobenzamide?
The IUPAC name of N-ethyl-3-hydroxy-N-(1-methoxypropan-2-yl)-4-nitrobenzamide (CID 102741640) is N-ethyl-3-hydroxy-N-(1-methoxypropan-2-yl)-4-nitrobenzamide.
What is the SMILES notation for N-ethyl-3-hydroxy-N-(1-methoxypropan-2-yl)-4-nitrobenzamide?
The canonical SMILES for N-ethyl-3-hydroxy-N-(1-methoxypropan-2-yl)-4-nitrobenzamide is CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C(C)COC.
What is the InChIKey of N-ethyl-3-hydroxy-N-(1-methoxypropan-2-yl)-4-nitrobenzamide?
The InChIKey is BGRSNDZFHQQOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-4-14(9(2)8-20-3)13(17)10-5-6-11(15(18)19)12(16)7-10/h5-7,9,16H,4,8H2,1-3H3.
What are the key properties of N-ethyl-3-hydroxy-N-(1-methoxypropan-2-yl)-4-nitrobenzamide?
N-ethyl-3-hydroxy-N-(1-methoxypropan-2-yl)-4-nitrobenzamide has a molecular weight of 282.30 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydroxy-N-(1-methoxypropan-2-yl)-4-nitrobenzamide is sourced from PubChem (CID 102741640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).