3-(ethylamino)-N-(4-hydroxy-2-nitrophenyl)propanamide

C11H15N3O4 — CID 62832870

IUPAC3-(ethylamino)-N-(4-hydroxy-2-nitrophenyl)propanamide
SMILESCCNCCC(=O)Nc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4/c1-2-12-6-5-11(16)13-9-4-3-8(15)7-10(9)14(17)18/h3-4,7,12,15H,2,5-6H2,1H3,(H,13,16)
InChIKeyMMTQMBPTPIFNKQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.24
Rot. Bonds6

About 3-(ethylamino)-N-(4-hydroxy-2-nitrophenyl)propanamide

3-(ethylamino)-N-(4-hydroxy-2-nitrophenyl)propanamide (PubChem CID 62832870) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-(ethylamino)-N-(4-hydroxy-2-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(4-hydroxy-2-nitrophenyl)propanamide
PubChem CID62832870
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name3-(ethylamino)-N-(4-hydroxy-2-nitrophenyl)propanamide
SMILESCCNCCC(=O)Nc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4/c1-2-12-6-5-11(16)13-9-4-3-8(15)7-10(9)14(17)18/h3-4,7,12,15H,2,5-6H2,1H3,(H,13,16)
InChIKeyMMTQMBPTPIFNKQ-UHFFFAOYSA-N
XLogP1.24
TPSA104.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', '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

5-bromo-N-(4-hydroxy-2-nitrophenyl)pentanamide
CID 107908520
N-(4-hydroxy-2-nitrophenyl)-2-propoxyacetamide
CID 114018733
N-(4-hydroxy-2-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604610
2-(azetidin-3-yl)-N-(4-hydroxy-2-nitrophenyl)acetamide
CID 64616370
N-(4-hydroxy-2-nitrophenyl)-2-methylpropanamide
CID 64592033
N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide
CID 4123173
2-(2-aminoethoxy)-N-(4-hydroxy-2-nitrophenyl)acetamide
CID 79473716
4-(methylamino)-3-nitrophenol
CID 22832045
2-[1-(aminomethyl)cyclobutyl]-N-(4-hydroxy-2-nitrophenyl)acetamide
CID 81179530
(2S,3S)-2-amino-N-(4-hydroxy-2-nitrophenyl)-3-methylpentanamide
CID 61155628
N-(4-formyl-2-nitrophenyl)propanamide
CID 57037732
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(4-hydroxy-2-nitrophenyl)propanamide?
The IUPAC name of 3-(ethylamino)-N-(4-hydroxy-2-nitrophenyl)propanamide (CID 62832870) is 3-(ethylamino)-N-(4-hydroxy-2-nitrophenyl)propanamide.
What is the SMILES notation for 3-(ethylamino)-N-(4-hydroxy-2-nitrophenyl)propanamide?
The canonical SMILES for 3-(ethylamino)-N-(4-hydroxy-2-nitrophenyl)propanamide is CCNCCC(=O)Nc1ccc(O)cc1[N+](=O)[O-].
What is the InChIKey of 3-(ethylamino)-N-(4-hydroxy-2-nitrophenyl)propanamide?
The InChIKey is MMTQMBPTPIFNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-12-6-5-11(16)13-9-4-3-8(15)7-10(9)14(17)18/h3-4,7,12,15H,2,5-6H2,1H3,(H,13,16).
What are the key properties of 3-(ethylamino)-N-(4-hydroxy-2-nitrophenyl)propanamide?
3-(ethylamino)-N-(4-hydroxy-2-nitrophenyl)propanamide has a molecular weight of 253.26 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(4-hydroxy-2-nitrophenyl)propanamide is sourced from PubChem (CID 62832870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).