N-(4,5-diethoxy-2-nitrophenyl)butanamide

C14H20N2O5 — CID 86912973

IUPACN-(4,5-diethoxy-2-nitrophenyl)butanamide
SMILESCCCC(=O)Nc1cc(OCC)c(OCC)cc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O5/c1-4-7-14(17)15-10-8-12(20-5-2)13(21-6-3)9-11(10)16(18)19/h8-9H,4-7H2,1-3H3,(H,15,17)
InChIKeyUDNWVMTTXQBGBW-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.13
Rot. Bonds8

About N-(4,5-diethoxy-2-nitrophenyl)butanamide

N-(4,5-diethoxy-2-nitrophenyl)butanamide (PubChem CID 86912973) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is N-(4,5-diethoxy-2-nitrophenyl)butanamide.

Molecular Properties

Compound NameN-(4,5-diethoxy-2-nitrophenyl)butanamide
PubChem CID86912973
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC NameN-(4,5-diethoxy-2-nitrophenyl)butanamide
SMILESCCCC(=O)Nc1cc(OCC)c(OCC)cc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O5/c1-4-7-14(17)15-10-8-12(20-5-2)13(21-6-3)9-11(10)16(18)19/h8-9H,4-7H2,1-3H3,(H,15,17)
InChIKeyUDNWVMTTXQBGBW-UHFFFAOYSA-N
XLogP3.13
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4,5-diethoxy-2-nitrophenyl)-3-phenylpropanamide
CID 86912979
(4,5-diethoxy-2-nitrophenyl)hydrazine
CID 60920771
N-(4,5-diethoxy-2-nitrophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 86912998
2-(1,2-benzoxazol-3-yl)-N-(4,5-diethoxy-2-nitrophenyl)acetamide
CID 86913005
2,2-dichloro-N-(4,5-diethoxy-2-nitrophenyl)cyclopropane-1-carboxamide
CID 78828996
3-chloro-N-(4-ethoxy-2-nitrophenyl)propanamide
CID 4644339
N-(4-ethoxy-2-nitrophenyl)pentanamide
CID 4295410
N-(4,5-diethoxy-2-nitrophenyl)-2,4-dimethylbenzamide
CID 86912988
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
N-[2,5-diethoxy-4-(pentanoylamino)phenyl]-2-nitrobenzamide
CID 3193321
N-(5-ethoxy-2,4-dinitrophenyl)-2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanamide
CID 14577516
N-(4,5-diethoxy-2-nitrophenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 78839667

Frequently Asked Questions

What is the IUPAC name of N-(4,5-diethoxy-2-nitrophenyl)butanamide?
The IUPAC name of N-(4,5-diethoxy-2-nitrophenyl)butanamide (CID 86912973) is N-(4,5-diethoxy-2-nitrophenyl)butanamide.
What is the SMILES notation for N-(4,5-diethoxy-2-nitrophenyl)butanamide?
The canonical SMILES for N-(4,5-diethoxy-2-nitrophenyl)butanamide is CCCC(=O)Nc1cc(OCC)c(OCC)cc1[N+](=O)[O-].
What is the InChIKey of N-(4,5-diethoxy-2-nitrophenyl)butanamide?
The InChIKey is UDNWVMTTXQBGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-4-7-14(17)15-10-8-12(20-5-2)13(21-6-3)9-11(10)16(18)19/h8-9H,4-7H2,1-3H3,(H,15,17).
What are the key properties of N-(4,5-diethoxy-2-nitrophenyl)butanamide?
N-(4,5-diethoxy-2-nitrophenyl)butanamide has a molecular weight of 296.32 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-diethoxy-2-nitrophenyl)butanamide is sourced from PubChem (CID 86912973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).