2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[2-(ethylamino)ethyl]benzamide

C20H24N4O4 — CID 119505274

IUPAC2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[2-(ethylamino)ethyl]benzamide
SMILESCCNCCNC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C20H24N4O4/c1-4-21-11-12-22-20(26)16-8-6-5-7-15(16)19(25)14-9-10-17(23(2)3)18(13-14)24(27)28/h5-10,13,21H,4,11-12H2,1-3H3,(H,22,26)
InChIKeyFYHCBAWRSRLWMZ-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.23
Rot. Bonds9

About 2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[2-(ethylamino)ethyl]benzamide

2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[2-(ethylamino)ethyl]benzamide (PubChem CID 119505274) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[2-(ethylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[2-(ethylamino)ethyl]benzamide
PubChem CID119505274
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[2-(ethylamino)ethyl]benzamide
SMILESCCNCCNC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C20H24N4O4/c1-4-21-11-12-22-20(26)16-8-6-5-7-15(16)19(25)14-9-10-17(23(2)3)18(13-14)24(27)28/h5-10,13,21H,4,11-12H2,1-3H3,(H,22,26)
InChIKeyFYHCBAWRSRLWMZ-UHFFFAOYSA-N
XLogP2.23
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

N-(3-aminobutyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide;hydrochloride
CID 119495478
N-(cyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide
CID 34832562
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 86906390
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-(3-phenylprop-2-ynyl)benzamide
CID 55546508
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-(3-methylbutan-2-yl)benzamide
CID 55546853
2-[4-(dimethylamino)-3-nitrobenzoyl]benzoic acid
CID 3391041
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 55596255
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-(thiophen-3-ylmethyl)benzamide
CID 55689206
N-[(2S)-1-aminopropan-2-yl]-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide;hydrochloride
CID 120506662
N-[2-(ethylamino)ethyl]-2-nitrobenzamide
CID 62658043
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-phenylmethoxybenzamide
CID 32581309
N-(dicyclopropylmethyl)-2-[4-(dimethylamino)-3-nitrobenzoyl]benzamide
CID 55547192

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[2-(ethylamino)ethyl]benzamide?
The IUPAC name of 2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[2-(ethylamino)ethyl]benzamide (CID 119505274) is 2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[2-(ethylamino)ethyl]benzamide.
What is the SMILES notation for 2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[2-(ethylamino)ethyl]benzamide?
The canonical SMILES for 2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[2-(ethylamino)ethyl]benzamide is CCNCCNC(=O)c1ccccc1C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[2-(ethylamino)ethyl]benzamide?
The InChIKey is FYHCBAWRSRLWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-4-21-11-12-22-20(26)16-8-6-5-7-15(16)19(25)14-9-10-17(23(2)3)18(13-14)24(27)28/h5-10,13,21H,4,11-12H2,1-3H3,(H,22,26).
What are the key properties of 2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[2-(ethylamino)ethyl]benzamide?
2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[2-(ethylamino)ethyl]benzamide has a molecular weight of 384.44 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-3-nitrobenzoyl]-N-[2-(ethylamino)ethyl]benzamide is sourced from PubChem (CID 119505274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).