4-[2-(dimethylamino)propylamino]-N-ethyl-3-nitrobenzamide

C14H22N4O3 — CID 82991749

IUPAC4-[2-(dimethylamino)propylamino]-N-ethyl-3-nitrobenzamide
SMILESCCNC(=O)c1ccc(NCC(C)N(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C14H22N4O3/c1-5-15-14(19)11-6-7-12(13(8-11)18(20)21)16-9-10(2)17(3)4/h6-8,10,16H,5,9H2,1-4H3,(H,15,19)
InChIKeyWJYITAZYWNJDTM-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.71
Rot. Bonds7

About 4-[2-(dimethylamino)propylamino]-N-ethyl-3-nitrobenzamide

4-[2-(dimethylamino)propylamino]-N-ethyl-3-nitrobenzamide (PubChem CID 82991749) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-[2-(dimethylamino)propylamino]-N-ethyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)propylamino]-N-ethyl-3-nitrobenzamide
PubChem CID82991749
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name4-[2-(dimethylamino)propylamino]-N-ethyl-3-nitrobenzamide
SMILESCCNC(=O)c1ccc(NCC(C)N(C)C)c([N+](=O)[O-])c1
InChIInChI=1S/C14H22N4O3/c1-5-15-14(19)11-6-7-12(13(8-11)18(20)21)16-9-10(2)17(3)4/h6-8,10,16H,5,9H2,1-4H3,(H,15,19)
InChIKeyWJYITAZYWNJDTM-UHFFFAOYSA-N
XLogP1.71
TPSA87.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.71
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

N-ethyl-4-(2-methylpropylamino)-3-nitrobenzamide
CID 82993350
3-[4-(ethylcarbamoyl)-2-nitroanilino]-2-methylpropanoic acid
CID 82991232
N-ethyl-4-(2-methylprop-2-enylamino)-3-nitrobenzamide
CID 114617541
N-ethyl-4-(3-methylbut-2-enylamino)-3-nitrobenzamide
CID 106191298
N-ethyl-3-nitro-4-(pentan-2-ylamino)benzamide
CID 82990993
N-ethyl-4-(1-hydroxybutan-2-ylamino)-3-nitrobenzamide
CID 82989906
4-(1-cyclopropylethylamino)-N-ethyl-3-nitrobenzamide
CID 82990994
3-[4-(dimethylcarbamoyl)-2-nitroanilino]-2-methylpropanoic acid
CID 82989398
4-(2,3-dimethylbutylamino)-N-methyl-3-nitrobenzamide
CID 78998693
N,N-dimethyl-4-[[2-methyl-3-(methylamino)propyl]amino]-3-nitrobenzamide
CID 82990261
N-ethyl-3-nitro-4-(thiophen-2-ylmethylamino)benzamide
CID 82993126
4-(ethylamino)-N-(2-methylpentan-3-yl)-3-nitrobenzamide
CID 61465473

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)propylamino]-N-ethyl-3-nitrobenzamide?
The IUPAC name of 4-[2-(dimethylamino)propylamino]-N-ethyl-3-nitrobenzamide (CID 82991749) is 4-[2-(dimethylamino)propylamino]-N-ethyl-3-nitrobenzamide.
What is the SMILES notation for 4-[2-(dimethylamino)propylamino]-N-ethyl-3-nitrobenzamide?
The canonical SMILES for 4-[2-(dimethylamino)propylamino]-N-ethyl-3-nitrobenzamide is CCNC(=O)c1ccc(NCC(C)N(C)C)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[2-(dimethylamino)propylamino]-N-ethyl-3-nitrobenzamide?
The InChIKey is WJYITAZYWNJDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-5-15-14(19)11-6-7-12(13(8-11)18(20)21)16-9-10(2)17(3)4/h6-8,10,16H,5,9H2,1-4H3,(H,15,19).
What are the key properties of 4-[2-(dimethylamino)propylamino]-N-ethyl-3-nitrobenzamide?
4-[2-(dimethylamino)propylamino]-N-ethyl-3-nitrobenzamide has a molecular weight of 294.36 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)propylamino]-N-ethyl-3-nitrobenzamide is sourced from PubChem (CID 82991749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).