3-amino-N-ethyl-N-(2-ethylbutyl)-2-nitrobenzamide

C15H23N3O3 — CID 115548734

IUPAC3-amino-N-ethyl-N-(2-ethylbutyl)-2-nitrobenzamide
SMILESCCC(CC)CN(CC)C(=O)c1cccc(N)c1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-4-11(5-2)10-17(6-3)15(19)12-8-7-9-13(16)14(12)18(20)21/h7-9,11H,4-6,10,16H2,1-3H3
InChIKeyLINBECQIBYUJHS-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.08
Rot. Bonds7

About 3-amino-N-ethyl-N-(2-ethylbutyl)-2-nitrobenzamide

3-amino-N-ethyl-N-(2-ethylbutyl)-2-nitrobenzamide (PubChem CID 115548734) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-(2-ethylbutyl)-2-nitrobenzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-(2-ethylbutyl)-2-nitrobenzamide
PubChem CID115548734
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-amino-N-ethyl-N-(2-ethylbutyl)-2-nitrobenzamide
SMILESCCC(CC)CN(CC)C(=O)c1cccc(N)c1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-4-11(5-2)10-17(6-3)15(19)12-8-7-9-13(16)14(12)18(20)21/h7-9,11H,4-6,10,16H2,1-3H3
InChIKeyLINBECQIBYUJHS-UHFFFAOYSA-N
XLogP3.08
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-amino-N,N-bis(cyclopropylmethyl)-2-nitrobenzamide
CID 115549135
N,N-diethyl-3-methyl-2-nitrobenzamide
CID 2186690
3-amino-N-ethyl-N-(2-ethylbutyl)-4-nitrobenzamide
CID 62681590
3-amino-N-cyclopropyl-N-(3-methylbutyl)-2-nitrobenzamide
CID 115548879
3-bromo-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
CID 107951815
2-[ethyl-(3-methyl-2-nitrobenzoyl)amino]acetic acid
CID 54901306
3-amino-N-(2,2-difluoroethyl)-2-nitrobenzamide
CID 113333576
N,N-diethyl-3-(ethylamino)-2-nitrobenzamide
CID 115548208
1-(3-amino-2-nitrophenyl)-2-bromopropan-1-one
CID 170836479
3-amino-2-chloro-N-ethyl-N-(2-methylpropyl)benzamide
CID 112574718
3-amino-N-[2-(carbamoylamino)ethyl]-2-nitrobenzamide
CID 83115159
5-amino-N-ethyl-N-(2-ethylbutyl)-2-fluorobenzamide
CID 43587095

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-(2-ethylbutyl)-2-nitrobenzamide?
The IUPAC name of 3-amino-N-ethyl-N-(2-ethylbutyl)-2-nitrobenzamide (CID 115548734) is 3-amino-N-ethyl-N-(2-ethylbutyl)-2-nitrobenzamide.
What is the SMILES notation for 3-amino-N-ethyl-N-(2-ethylbutyl)-2-nitrobenzamide?
The canonical SMILES for 3-amino-N-ethyl-N-(2-ethylbutyl)-2-nitrobenzamide is CCC(CC)CN(CC)C(=O)c1cccc(N)c1[N+](=O)[O-].
What is the InChIKey of 3-amino-N-ethyl-N-(2-ethylbutyl)-2-nitrobenzamide?
The InChIKey is LINBECQIBYUJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-11(5-2)10-17(6-3)15(19)12-8-7-9-13(16)14(12)18(20)21/h7-9,11H,4-6,10,16H2,1-3H3.
What are the key properties of 3-amino-N-ethyl-N-(2-ethylbutyl)-2-nitrobenzamide?
3-amino-N-ethyl-N-(2-ethylbutyl)-2-nitrobenzamide has a molecular weight of 293.37 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-(2-ethylbutyl)-2-nitrobenzamide is sourced from PubChem (CID 115548734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).