3-amino-N-[2-(diethylamino)ethyl]-4-nitrobenzamide

C13H20N4O3 — CID 62682092

IUPAC3-amino-N-[2-(diethylamino)ethyl]-4-nitrobenzamide
SMILESCCN(CC)CCNC(=O)c1ccc([N+](=O)[O-])c(N)c1
InChIInChI=1S/C13H20N4O3/c1-3-16(4-2)8-7-15-13(18)10-5-6-12(17(19)20)11(14)9-10/h5-6,9H,3-4,7-8,14H2,1-2H3,(H,15,18)
InChIKeyGFHWRQHLZGTRLQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.25
Rot. Bonds7

About 3-amino-N-[2-(diethylamino)ethyl]-4-nitrobenzamide

3-amino-N-[2-(diethylamino)ethyl]-4-nitrobenzamide (PubChem CID 62682092) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-amino-N-[2-(diethylamino)ethyl]-4-nitrobenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(diethylamino)ethyl]-4-nitrobenzamide
PubChem CID62682092
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name3-amino-N-[2-(diethylamino)ethyl]-4-nitrobenzamide
SMILESCCN(CC)CCNC(=O)c1ccc([N+](=O)[O-])c(N)c1
InChIInChI=1S/C13H20N4O3/c1-3-16(4-2)8-7-15-13(18)10-5-6-12(17(19)20)11(14)9-10/h5-6,9H,3-4,7-8,14H2,1-2H3,(H,15,18)
InChIKeyGFHWRQHLZGTRLQ-UHFFFAOYSA-N
XLogP1.25
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-[2-(diethylamino)ethyl]-3-hydrazinyl-4-nitrobenzamide
CID 62682518
N-[2-(diethylamino)ethyl]-4-fluoro-3-nitrobenzamide
CID 43215642
N-[3-(diethylamino)propyl]-3-methyl-4-nitrobenzamide
CID 2163235
3-amino-4-chloro-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 117067963
4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide
CID 18999797
4-amino-N-[2-(diethylamino)ethyl]-3-iodobenzamide
CID 112750715
N-[2-(diethylamino)ethyl]-5-hydroxy-2-nitrobenzamide
CID 102740736
3-acetyl-4-amino-N-[2-(diethylamino)ethyl]benzamide
CID 143395890
4-amino-N-[2-(diethylamino)ethyl]-3-methoxybenzamide
CID 58155168
3-amino-N-(2,2-difluoroethyl)-4-nitrobenzamide
CID 113304064
N-[2-(diethylamino)ethyl]-2-nitrobenzamide
CID 15943
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(diethylamino)ethyl]-4-nitrobenzamide?
The IUPAC name of 3-amino-N-[2-(diethylamino)ethyl]-4-nitrobenzamide (CID 62682092) is 3-amino-N-[2-(diethylamino)ethyl]-4-nitrobenzamide.
What is the SMILES notation for 3-amino-N-[2-(diethylamino)ethyl]-4-nitrobenzamide?
The canonical SMILES for 3-amino-N-[2-(diethylamino)ethyl]-4-nitrobenzamide is CCN(CC)CCNC(=O)c1ccc([N+](=O)[O-])c(N)c1.
What is the InChIKey of 3-amino-N-[2-(diethylamino)ethyl]-4-nitrobenzamide?
The InChIKey is GFHWRQHLZGTRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-16(4-2)8-7-15-13(18)10-5-6-12(17(19)20)11(14)9-10/h5-6,9H,3-4,7-8,14H2,1-2H3,(H,15,18).
What are the key properties of 3-amino-N-[2-(diethylamino)ethyl]-4-nitrobenzamide?
3-amino-N-[2-(diethylamino)ethyl]-4-nitrobenzamide has a molecular weight of 280.33 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(diethylamino)ethyl]-4-nitrobenzamide is sourced from PubChem (CID 62682092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).