2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-ethyl-3-nitrophenyl)benzamide

C19H21N3O5 — CID 30870966

IUPAC2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-ethyl-3-nitrophenyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccccc2OCC(=O)N(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C19H21N3O5/c1-4-13-9-10-14(11-16(13)22(25)26)20-19(24)15-7-5-6-8-17(15)27-12-18(23)21(2)3/h5-11H,4,12H2,1-3H3,(H,20,24)
InChIKeyAWXHDJDYHXBSSY-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.88
Rot. Bonds7

About 2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-ethyl-3-nitrophenyl)benzamide

2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-ethyl-3-nitrophenyl)benzamide (PubChem CID 30870966) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-ethyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-ethyl-3-nitrophenyl)benzamide
PubChem CID30870966
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-ethyl-3-nitrophenyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccccc2OCC(=O)N(C)C)cc1[N+](=O)[O-]
InChIInChI=1S/C19H21N3O5/c1-4-13-9-10-14(11-16(13)22(25)26)20-19(24)15-7-5-6-8-17(15)27-12-18(23)21(2)3/h5-11H,4,12H2,1-3H3,(H,20,24)
InChIKeyAWXHDJDYHXBSSY-UHFFFAOYSA-N
XLogP2.88
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.88
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

2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-methoxyphenyl)benzamide
CID 34815754
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 27669306
2-(2-methoxyethoxy)-N-(4-methyl-3-nitrophenyl)benzamide
CID 60567354
2-[2-(dimethylamino)-2-oxoethoxy]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27666765
2-[2-(dimethylamino)-2-oxoethoxy]-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide
CID 30257849
N-(4-ethyl-3-nitrophenyl)-2,5-dimethoxybenzamide
CID 86925249
2-ethoxy-N-[(4-methyl-3-nitrophenyl)carbamothioyl]benzamide
CID 4926948
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(4-methyl-3-nitrophenyl)benzamide
CID 29201392
3-bromo-N-(4-ethyl-3-nitrophenyl)benzamide
CID 34655216
2-amino-N-(4-ethyl-3-nitrophenyl)-5-fluoro-3-nitrobenzamide
CID 87044502
N-(4-ethyl-3-nitrophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 61068685

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-ethyl-3-nitrophenyl)benzamide?
The IUPAC name of 2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-ethyl-3-nitrophenyl)benzamide (CID 30870966) is 2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-ethyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-ethyl-3-nitrophenyl)benzamide?
The canonical SMILES for 2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-ethyl-3-nitrophenyl)benzamide is CCc1ccc(NC(=O)c2ccccc2OCC(=O)N(C)C)cc1[N+](=O)[O-].
What is the InChIKey of 2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-ethyl-3-nitrophenyl)benzamide?
The InChIKey is AWXHDJDYHXBSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-4-13-9-10-14(11-16(13)22(25)26)20-19(24)15-7-5-6-8-17(15)27-12-18(23)21(2)3/h5-11H,4,12H2,1-3H3,(H,20,24).
What are the key properties of 2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-ethyl-3-nitrophenyl)benzamide?
2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-ethyl-3-nitrophenyl)benzamide has a molecular weight of 371.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-oxoethoxy]-N-(4-ethyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 30870966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).