3-(ethylamino)-2-nitro-N-propan-2-yl-N-propylbenzamide

C15H23N3O3 — CID 115548455

IUPAC3-(ethylamino)-2-nitro-N-propan-2-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(NCC)c1[N+](=O)[O-])C(C)C
InChIInChI=1S/C15H23N3O3/c1-5-10-17(11(3)4)15(19)12-8-7-9-13(16-6-2)14(12)18(20)21/h7-9,11,16H,5-6,10H2,1-4H3
InChIKeySHXCXYOJLZWQQR-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.29
Rot. Bonds7

About 3-(ethylamino)-2-nitro-N-propan-2-yl-N-propylbenzamide

3-(ethylamino)-2-nitro-N-propan-2-yl-N-propylbenzamide (PubChem CID 115548455) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(ethylamino)-2-nitro-N-propan-2-yl-N-propylbenzamide.

Molecular Properties

Compound Name3-(ethylamino)-2-nitro-N-propan-2-yl-N-propylbenzamide
PubChem CID115548455
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-(ethylamino)-2-nitro-N-propan-2-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1cccc(NCC)c1[N+](=O)[O-])C(C)C
InChIInChI=1S/C15H23N3O3/c1-5-10-17(11(3)4)15(19)12-8-7-9-13(16-6-2)14(12)18(20)21/h7-9,11,16H,5-6,10H2,1-4H3
InChIKeySHXCXYOJLZWQQR-UHFFFAOYSA-N
XLogP3.29
TPSA75.48 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 ≤ 53.29
H-Bond Donors ≤ 51
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,N-diethyl-3-(ethylamino)-2-nitrobenzamide
CID 115548208
N-(2-cyanoethyl)-N-ethyl-3-(ethylamino)-2-nitrobenzamide
CID 115548786
1-N,3-N-diethyl-2-nitrobenzene-1,3-diamine
CID 45118197
3-(ethylamino)-N-(2-methylsulfanylethyl)-2-nitrobenzamide
CID 115549100
N-(1-ethoxypropan-2-yl)-3-(ethylamino)-2-nitrobenzamide
CID 115548743
N-(1-hydroxypropan-2-yl)-N-methyl-3-(methylamino)-2-nitrobenzamide
CID 104554331
3-hydrazinyl-N-(2-hydroxypropyl)-N-methyl-2-nitrobenzamide
CID 115549585
1-N-ethyl-3-N-methyl-2-nitro-3-N-pentan-2-ylbenzene-1,3-diamine
CID 80793409
2-[3-(ethylamino)-N-methyl-2-nitroanilino]propan-1-ol
CID 104557063
N-butan-2-yl-2-nitro-3-(propylamino)benzamide
CID 115548231
5-fluoro-2-nitro-N-propan-2-yl-N-propylbenzamide
CID 60876599
3-(ethylamino)-N-(3-methylcyclopentyl)-2-nitrobenzamide
CID 114540515

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-nitro-N-propan-2-yl-N-propylbenzamide?
The IUPAC name of 3-(ethylamino)-2-nitro-N-propan-2-yl-N-propylbenzamide (CID 115548455) is 3-(ethylamino)-2-nitro-N-propan-2-yl-N-propylbenzamide.
What is the SMILES notation for 3-(ethylamino)-2-nitro-N-propan-2-yl-N-propylbenzamide?
The canonical SMILES for 3-(ethylamino)-2-nitro-N-propan-2-yl-N-propylbenzamide is CCCN(C(=O)c1cccc(NCC)c1[N+](=O)[O-])C(C)C.
What is the InChIKey of 3-(ethylamino)-2-nitro-N-propan-2-yl-N-propylbenzamide?
The InChIKey is SHXCXYOJLZWQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-10-17(11(3)4)15(19)12-8-7-9-13(16-6-2)14(12)18(20)21/h7-9,11,16H,5-6,10H2,1-4H3.
What are the key properties of 3-(ethylamino)-2-nitro-N-propan-2-yl-N-propylbenzamide?
3-(ethylamino)-2-nitro-N-propan-2-yl-N-propylbenzamide has a molecular weight of 293.37 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-nitro-N-propan-2-yl-N-propylbenzamide is sourced from PubChem (CID 115548455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).