N,N-diethyl-4-(2-nitrophenoxy)butanamide

C14H20N2O4 — CID 84556302

IUPACN,N-diethyl-4-(2-nitrophenoxy)butanamide
SMILESCCN(CC)C(=O)CCCOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O4/c1-3-15(4-2)14(17)10-7-11-20-13-9-6-5-8-12(13)16(18)19/h5-6,8-9H,3-4,7,10-11H2,1-2H3
InChIKeyPOBIVGMFLMONBP-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.62
Rot. Bonds8

About N,N-diethyl-4-(2-nitrophenoxy)butanamide

N,N-diethyl-4-(2-nitrophenoxy)butanamide (PubChem CID 84556302) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N,N-diethyl-4-(2-nitrophenoxy)butanamide.

Molecular Properties

Compound NameN,N-diethyl-4-(2-nitrophenoxy)butanamide
PubChem CID84556302
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN,N-diethyl-4-(2-nitrophenoxy)butanamide
SMILESCCN(CC)C(=O)CCCOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O4/c1-3-15(4-2)14(17)10-7-11-20-13-9-6-5-8-12(13)16(18)19/h5-6,8-9H,3-4,7,10-11H2,1-2H3
InChIKeyPOBIVGMFLMONBP-UHFFFAOYSA-N
XLogP2.62
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-[methyl-[4-(2-nitrophenoxy)butanoyl]amino]acetic acid
CID 84557633
methyl 4-(2-nitrophenoxy)butanoate
CID 43378076
5-(2-nitrophenoxy)pentanoic acid
CID 28971679
N-ethyl-N-(3-hydroxypropyl)-2-(2-nitrophenoxy)acetamide
CID 115771500
1-(2-ethoxyethoxy)-2-nitrobenzene
CID 23347822
N-[4-(diethylamino)butyl]-4-(2-nitrophenoxy)butanamide
CID 84553927
3-(2-nitrophenoxy)propan-1-ol
CID 18791292
1-[4-(4-ethoxyphenoxy)butoxy]-2-nitrobenzene
CID 2899468
5-(2-nitrophenoxy)pentanehydrazide
CID 63576866
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-nitrobenzene
CID 15105139
N-(2-acetamidoethyl)-4-(2-nitrophenoxy)butanamide
CID 84553535
N-[2-(dimethylamino)ethyl]-4-(2-nitrophenoxy)butanamide
CID 84553929

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2-nitrophenoxy)butanamide?
The IUPAC name of N,N-diethyl-4-(2-nitrophenoxy)butanamide (CID 84556302) is N,N-diethyl-4-(2-nitrophenoxy)butanamide.
What is the SMILES notation for N,N-diethyl-4-(2-nitrophenoxy)butanamide?
The canonical SMILES for N,N-diethyl-4-(2-nitrophenoxy)butanamide is CCN(CC)C(=O)CCCOc1ccccc1[N+](=O)[O-].
What is the InChIKey of N,N-diethyl-4-(2-nitrophenoxy)butanamide?
The InChIKey is POBIVGMFLMONBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-15(4-2)14(17)10-7-11-20-13-9-6-5-8-12(13)16(18)19/h5-6,8-9H,3-4,7,10-11H2,1-2H3.
What are the key properties of N,N-diethyl-4-(2-nitrophenoxy)butanamide?
N,N-diethyl-4-(2-nitrophenoxy)butanamide has a molecular weight of 280.32 g/mol, XLogP of 2.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-nitrophenoxy)butanamide is sourced from PubChem (CID 84556302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).