2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-nitrobenzamide

C14H22N4O3 — CID 103191098

IUPAC2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-nitrobenzamide
SMILESCCN(C(=O)c1cccc([N+](=O)[O-])c1N)C(C)CN(C)C
InChIInChI=1S/C14H22N4O3/c1-5-17(10(2)9-16(3)4)14(19)11-7-6-8-12(13(11)15)18(20)21/h6-8,10H,5,9,15H2,1-4H3
InChIKeyMGIJNDOQGMBDOS-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.59
Rot. Bonds6

About 2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-nitrobenzamide

2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-nitrobenzamide (PubChem CID 103191098) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-nitrobenzamide
PubChem CID103191098
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-nitrobenzamide
SMILESCCN(C(=O)c1cccc([N+](=O)[O-])c1N)C(C)CN(C)C
InChIInChI=1S/C14H22N4O3/c1-5-17(10(2)9-16(3)4)14(19)11-7-6-8-12(13(11)15)18(20)21/h6-8,10H,5,9,15H2,1-4H3
InChIKeyMGIJNDOQGMBDOS-UHFFFAOYSA-N
XLogP1.59
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
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

2-amino-N-butan-2-yl-N-ethyl-3-nitrobenzamide
CID 112580586
2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-nitrobenzamide
CID 115678617
2-amino-N,N-dimethyl-3-nitrobenzamide
CID 58736106
2-amino-N-(1-cyanopropan-2-yl)-N-methyl-3-nitrobenzamide
CID 112696662
2-amino-N-ethyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 115678872
N-ethyl-N-[(2S)-1-ethylsulfonylpropan-2-yl]-2-nitrobenzamide
CID 95625326
4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-nitrobenzamide
CID 103188589
2-amino-N-ethyl-3-nitro-N-pyridin-4-ylbenzamide
CID 103733862
2-amino-N,N-bis(2-hydroxyethyl)-3-nitrobenzamide
CID 112551984
2-(3-aminoprop-1-ynyl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzamide
CID 103190523
2-amino-N-(3-ethylpentan-2-yl)-3-nitrobenzamide
CID 115679021
2-amino-N-(2-ethylbutyl)-3-nitrobenzamide
CID 115678977

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-nitrobenzamide?
The IUPAC name of 2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-nitrobenzamide (CID 103191098) is 2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-nitrobenzamide.
What is the SMILES notation for 2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-nitrobenzamide?
The canonical SMILES for 2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-nitrobenzamide is CCN(C(=O)c1cccc([N+](=O)[O-])c1N)C(C)CN(C)C.
What is the InChIKey of 2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-nitrobenzamide?
The InChIKey is MGIJNDOQGMBDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-5-17(10(2)9-16(3)4)14(19)11-7-6-8-12(13(11)15)18(20)21/h6-8,10H,5,9,15H2,1-4H3.
What are the key properties of 2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-nitrobenzamide?
2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-nitrobenzamide has a molecular weight of 294.35 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-nitrobenzamide is sourced from PubChem (CID 103191098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).