2-(ethylamino)-4-(2-methoxy-5-nitrophenoxy)butanamide

C13H19N3O5 — CID 63040159

IUPAC2-(ethylamino)-4-(2-methoxy-5-nitrophenoxy)butanamide
SMILESCCNC(CCOc1cc([N+](=O)[O-])ccc1OC)C(N)=O
InChIInChI=1S/C13H19N3O5/c1-3-15-10(13(14)17)6-7-21-12-8-9(16(18)19)4-5-11(12)20-2/h4-5,8,10,15H,3,6-7H2,1-2H3,(H2,14,17)
InChIKeyILRHHZQABWTWIF-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.84
Rot. Bonds9

About 2-(ethylamino)-4-(2-methoxy-5-nitrophenoxy)butanamide

2-(ethylamino)-4-(2-methoxy-5-nitrophenoxy)butanamide (PubChem CID 63040159) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-(ethylamino)-4-(2-methoxy-5-nitrophenoxy)butanamide.

Molecular Properties

Compound Name2-(ethylamino)-4-(2-methoxy-5-nitrophenoxy)butanamide
PubChem CID63040159
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name2-(ethylamino)-4-(2-methoxy-5-nitrophenoxy)butanamide
SMILESCCNC(CCOc1cc([N+](=O)[O-])ccc1OC)C(N)=O
InChIInChI=1S/C13H19N3O5/c1-3-15-10(13(14)17)6-7-21-12-8-9(16(18)19)4-5-11(12)20-2/h4-5,8,10,15H,3,6-7H2,1-2H3,(H2,14,17)
InChIKeyILRHHZQABWTWIF-UHFFFAOYSA-N
XLogP0.84
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(ethylamino)-4-(4-methoxy-2-nitrophenoxy)butanamide
CID 63039034
methyl 4-(2-bromo-5-nitrophenoxy)-2-(ethylamino)butanoate
CID 103012587
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
2-(3,3-diethoxypropoxy)-1-methoxy-4-nitrobenzene
CID 63629477
methyl 2-(ethylamino)-4-(4-nitrophenoxy)butanoate
CID 63041490
2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081
4-(2-methoxy-5-nitrophenoxy)-2-(propylamino)butanenitrile
CID 63030008
1,2-bis(2-methoxyethoxy)-4-nitrobenzene;carbamic acid
CID 175523332
ethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate
CID 7931792
2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide
CID 7931749
2-(cyclopropylamino)-3-(2-methoxy-4-nitrophenoxy)propanamide
CID 62109287
(2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide
CID 8566597

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(2-methoxy-5-nitrophenoxy)butanamide?
The IUPAC name of 2-(ethylamino)-4-(2-methoxy-5-nitrophenoxy)butanamide (CID 63040159) is 2-(ethylamino)-4-(2-methoxy-5-nitrophenoxy)butanamide.
What is the SMILES notation for 2-(ethylamino)-4-(2-methoxy-5-nitrophenoxy)butanamide?
The canonical SMILES for 2-(ethylamino)-4-(2-methoxy-5-nitrophenoxy)butanamide is CCNC(CCOc1cc([N+](=O)[O-])ccc1OC)C(N)=O.
What is the InChIKey of 2-(ethylamino)-4-(2-methoxy-5-nitrophenoxy)butanamide?
The InChIKey is ILRHHZQABWTWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-3-15-10(13(14)17)6-7-21-12-8-9(16(18)19)4-5-11(12)20-2/h4-5,8,10,15H,3,6-7H2,1-2H3,(H2,14,17).
What are the key properties of 2-(ethylamino)-4-(2-methoxy-5-nitrophenoxy)butanamide?
2-(ethylamino)-4-(2-methoxy-5-nitrophenoxy)butanamide has a molecular weight of 297.31 g/mol, XLogP of 0.84, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(2-methoxy-5-nitrophenoxy)butanamide is sourced from PubChem (CID 63040159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).