N-(3-ethylpentan-2-yl)-2-(methylamino)-5-nitrobenzamide

C15H23N3O3 — CID 63837382

IUPACN-(3-ethylpentan-2-yl)-2-(methylamino)-5-nitrobenzamide
SMILESCCC(CC)C(C)NC(=O)c1cc([N+](=O)[O-])ccc1NC
InChIInChI=1S/C15H23N3O3/c1-5-11(6-2)10(3)17-15(19)13-9-12(18(20)21)7-8-14(13)16-4/h7-11,16H,5-6H2,1-4H3,(H,17,19)
InChIKeyMWBZISZTZKMHAR-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.19
Rot. Bonds7

About N-(3-ethylpentan-2-yl)-2-(methylamino)-5-nitrobenzamide

N-(3-ethylpentan-2-yl)-2-(methylamino)-5-nitrobenzamide (PubChem CID 63837382) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(3-ethylpentan-2-yl)-2-(methylamino)-5-nitrobenzamide.

Molecular Properties

Compound NameN-(3-ethylpentan-2-yl)-2-(methylamino)-5-nitrobenzamide
PubChem CID63837382
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(3-ethylpentan-2-yl)-2-(methylamino)-5-nitrobenzamide
SMILESCCC(CC)C(C)NC(=O)c1cc([N+](=O)[O-])ccc1NC
InChIInChI=1S/C15H23N3O3/c1-5-11(6-2)10(3)17-15(19)13-9-12(18(20)21)7-8-14(13)16-4/h7-11,16H,5-6H2,1-4H3,(H,17,19)
InChIKeyMWBZISZTZKMHAR-UHFFFAOYSA-N
XLogP3.19
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[1-(ethylamino)-1-oxopropan-2-yl]-2-(methylamino)-5-nitrobenzamide
CID 60661259
2-(methylamino)-N-(1-methylsulfanylpropan-2-yl)-5-nitrobenzamide
CID 115636044
N-(1-amino-1-oxopropan-2-yl)-2-(methylamino)-5-nitrobenzamide
CID 60698893
N-(1-cyclopropylethyl)-2-(methylamino)-5-nitrobenzamide
CID 47113861
N-[1-(furan-2-yl)ethyl]-2-(methylamino)-5-nitrobenzamide
CID 18116900
N-[1-(4-bromophenyl)ethyl]-2-(methylamino)-5-nitrobenzamide
CID 24544627
2-(ethylamino)-N-(2-methylpentan-3-yl)-5-nitrobenzamide
CID 62181755
N-ethyl-2-(methylamino)-N-(2-methylbutyl)-5-nitrobenzamide
CID 79481856
N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 24531986
2-(methylamino)-5-nitro-N-[(2S)-2-phenylpropyl]benzamide
CID 27017917
2-(methylamino)-5-nitro-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide
CID 55890952
2-(methylamino)-N-[2-(2-methylpropoxy)ethyl]-5-nitrobenzamide
CID 115588576

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-2-yl)-2-(methylamino)-5-nitrobenzamide?
The IUPAC name of N-(3-ethylpentan-2-yl)-2-(methylamino)-5-nitrobenzamide (CID 63837382) is N-(3-ethylpentan-2-yl)-2-(methylamino)-5-nitrobenzamide.
What is the SMILES notation for N-(3-ethylpentan-2-yl)-2-(methylamino)-5-nitrobenzamide?
The canonical SMILES for N-(3-ethylpentan-2-yl)-2-(methylamino)-5-nitrobenzamide is CCC(CC)C(C)NC(=O)c1cc([N+](=O)[O-])ccc1NC.
What is the InChIKey of N-(3-ethylpentan-2-yl)-2-(methylamino)-5-nitrobenzamide?
The InChIKey is MWBZISZTZKMHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-11(6-2)10(3)17-15(19)13-9-12(18(20)21)7-8-14(13)16-4/h7-11,16H,5-6H2,1-4H3,(H,17,19).
What are the key properties of N-(3-ethylpentan-2-yl)-2-(methylamino)-5-nitrobenzamide?
N-(3-ethylpentan-2-yl)-2-(methylamino)-5-nitrobenzamide has a molecular weight of 293.37 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-2-yl)-2-(methylamino)-5-nitrobenzamide is sourced from PubChem (CID 63837382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).