N-ethyl-2-[(4-nitrophenyl)methylamino]propanamide

C12H17N3O3 — CID 43400092

IUPACN-ethyl-2-[(4-nitrophenyl)methylamino]propanamide
SMILESCCNC(=O)C(C)NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H17N3O3/c1-3-13-12(16)9(2)14-8-10-4-6-11(7-5-10)15(17)18/h4-7,9,14H,3,8H2,1-2H3,(H,13,16)
InChIKeyPJYSKNGTJSWQGC-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.21
Rot. Bonds6

About N-ethyl-2-[(4-nitrophenyl)methylamino]propanamide

N-ethyl-2-[(4-nitrophenyl)methylamino]propanamide (PubChem CID 43400092) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-ethyl-2-[(4-nitrophenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(4-nitrophenyl)methylamino]propanamide
PubChem CID43400092
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-ethyl-2-[(4-nitrophenyl)methylamino]propanamide
SMILESCCNC(=O)C(C)NCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H17N3O3/c1-3-13-12(16)9(2)14-8-10-4-6-11(7-5-10)15(17)18/h4-7,9,14H,3,8H2,1-2H3,(H,13,16)
InChIKeyPJYSKNGTJSWQGC-UHFFFAOYSA-N
XLogP1.21
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.21
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

2-[(4-nitrophenyl)methylamino]-N-pentan-3-ylpropanamide
CID 60875982
N-ethyl-2-[[2-(4-nitrophenyl)acetyl]amino]propanamide
CID 47112942
2-[(4-nitrophenyl)methylamino]propanamide
CID 43402378
N-ethyl-2-[(4-methylsulfonylphenyl)methylamino]propanamide
CID 61068703
4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]-N-methylbenzamide
CID 60732797
(2S)-3-methyl-N-[(4-nitrophenyl)methyl]butan-2-amine
CID 28833402
2-[(4-nitrophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 60875208
N-ethyl-2-(4-nitrophenoxy)propanamide
CID 4951333
N-ethyl-2-(4-nitrophenyl)butanamide
CID 20667169
(2R)-2-[(4-nitrophenyl)methylamino]butan-1-ol
CID 40727263
2-[(4-bromo-3-methylphenyl)methylamino]-N-ethylpropanamide
CID 66471990
N-ethyl-2-[(6-methyl-3-pyridinyl)methylamino]propanamide
CID 62997286

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-nitrophenyl)methylamino]propanamide?
The IUPAC name of N-ethyl-2-[(4-nitrophenyl)methylamino]propanamide (CID 43400092) is N-ethyl-2-[(4-nitrophenyl)methylamino]propanamide.
What is the SMILES notation for N-ethyl-2-[(4-nitrophenyl)methylamino]propanamide?
The canonical SMILES for N-ethyl-2-[(4-nitrophenyl)methylamino]propanamide is CCNC(=O)C(C)NCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-ethyl-2-[(4-nitrophenyl)methylamino]propanamide?
The InChIKey is PJYSKNGTJSWQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-13-12(16)9(2)14-8-10-4-6-11(7-5-10)15(17)18/h4-7,9,14H,3,8H2,1-2H3,(H,13,16).
What are the key properties of N-ethyl-2-[(4-nitrophenyl)methylamino]propanamide?
N-ethyl-2-[(4-nitrophenyl)methylamino]propanamide has a molecular weight of 251.29 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-nitrophenyl)methylamino]propanamide is sourced from PubChem (CID 43400092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).