4-[(2-amino-2-oxoethyl)amino]-N,N-dimethyl-3-nitrobenzamide

C11H14N4O4 — CID 82989700

IUPAC4-[(2-amino-2-oxoethyl)amino]-N,N-dimethyl-3-nitrobenzamide
SMILESCN(C)C(=O)c1ccc(NCC(N)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14N4O4/c1-14(2)11(17)7-3-4-8(13-6-10(12)16)9(5-7)15(18)19/h3-5,13H,6H2,1-2H3,(H2,12,16)
InChIKeyQANYRVGURSCQCW-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.19
Rot. Bonds5

About 4-[(2-amino-2-oxoethyl)amino]-N,N-dimethyl-3-nitrobenzamide

4-[(2-amino-2-oxoethyl)amino]-N,N-dimethyl-3-nitrobenzamide (PubChem CID 82989700) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is 4-[(2-amino-2-oxoethyl)amino]-N,N-dimethyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-[(2-amino-2-oxoethyl)amino]-N,N-dimethyl-3-nitrobenzamide
PubChem CID82989700
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Name4-[(2-amino-2-oxoethyl)amino]-N,N-dimethyl-3-nitrobenzamide
SMILESCN(C)C(=O)c1ccc(NCC(N)=O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14N4O4/c1-14(2)11(17)7-3-4-8(13-6-10(12)16)9(5-7)15(18)19/h3-5,13H,6H2,1-2H3,(H2,12,16)
InChIKeyQANYRVGURSCQCW-UHFFFAOYSA-N
XLogP0.19
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.19
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-[4-(dimethylcarbamoyl)-2-nitroanilino]acetic acid
CID 82989393
4-[(2-amino-2-oxoethyl)amino]-3-nitrobenzamide
CID 43386342
4-[(1-aminocyclobutyl)methylamino]-N,N-dimethyl-3-nitrobenzamide
CID 103354037
3-[4-(dimethylcarbamoyl)-2-nitroanilino]-2-methylpropanoic acid
CID 82989398
N,N-dimethyl-3-nitro-4-(2H-tetrazol-5-ylmethylamino)benzamide
CID 82991354
4-(3-methoxypropylamino)-N,N-dimethyl-3-nitrobenzamide
CID 82992510
4-(2-ethoxyethylamino)-N,N-dimethyl-3-nitrobenzamide
CID 82991065
N,N-dimethyl-4-[[2-methyl-3-(methylamino)propyl]amino]-3-nitrobenzamide
CID 82990261
N,N-dimethyl-3-nitro-4-(pentan-3-ylamino)benzamide
CID 82993205
4-[(2-amino-2-cyclopropylethyl)amino]-N,N-dimethyl-3-nitrobenzamide
CID 82993221
2-(4-carbamoyl-2-nitroanilino)acetic acid
CID 43386338
N,N-dimethyl-3-nitro-4-(thiolan-3-ylmethylamino)benzamide
CID 107296627

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-oxoethyl)amino]-N,N-dimethyl-3-nitrobenzamide?
The IUPAC name of 4-[(2-amino-2-oxoethyl)amino]-N,N-dimethyl-3-nitrobenzamide (CID 82989700) is 4-[(2-amino-2-oxoethyl)amino]-N,N-dimethyl-3-nitrobenzamide.
What is the SMILES notation for 4-[(2-amino-2-oxoethyl)amino]-N,N-dimethyl-3-nitrobenzamide?
The canonical SMILES for 4-[(2-amino-2-oxoethyl)amino]-N,N-dimethyl-3-nitrobenzamide is CN(C)C(=O)c1ccc(NCC(N)=O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(2-amino-2-oxoethyl)amino]-N,N-dimethyl-3-nitrobenzamide?
The InChIKey is QANYRVGURSCQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-14(2)11(17)7-3-4-8(13-6-10(12)16)9(5-7)15(18)19/h3-5,13H,6H2,1-2H3,(H2,12,16).
What are the key properties of 4-[(2-amino-2-oxoethyl)amino]-N,N-dimethyl-3-nitrobenzamide?
4-[(2-amino-2-oxoethyl)amino]-N,N-dimethyl-3-nitrobenzamide has a molecular weight of 266.26 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-oxoethyl)amino]-N,N-dimethyl-3-nitrobenzamide is sourced from PubChem (CID 82989700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).