N-ethyl-2-(4-nitrophenyl)butanamide

C12H16N2O3 — CID 20667169

IUPACN-ethyl-2-(4-nitrophenyl)butanamide
SMILESCCNC(=O)C(CC)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H16N2O3/c1-3-11(12(15)13-4-2)9-5-7-10(8-6-9)14(16)17/h5-8,11H,3-4H2,1-2H3,(H,13,15)
InChIKeyMXPDJKDARXGSMO-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.22
Rot. Bonds5

About N-ethyl-2-(4-nitrophenyl)butanamide

N-ethyl-2-(4-nitrophenyl)butanamide (PubChem CID 20667169) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-ethyl-2-(4-nitrophenyl)butanamide.

Molecular Properties

Compound NameN-ethyl-2-(4-nitrophenyl)butanamide
PubChem CID20667169
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-ethyl-2-(4-nitrophenyl)butanamide
SMILESCCNC(=O)C(CC)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H16N2O3/c1-3-11(12(15)13-4-2)9-5-7-10(8-6-9)14(16)17/h5-8,11H,3-4H2,1-2H3,(H,13,15)
InChIKeyMXPDJKDARXGSMO-UHFFFAOYSA-N
XLogP2.22
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

propan-2-yl 2-(4-nitrophenyl)butanoate
CID 70365783
N-ethyl-2-(4-nitrophenoxy)propanamide
CID 4951333
N-ethyl-2-[(4-nitrophenyl)methylamino]propanamide
CID 43400092
N-ethyl-2-[[2-(4-nitrophenyl)acetyl]amino]propanamide
CID 47112942
N-(2-methyl-4-nitrophenyl)-2-phenylbutanamide
CID 2891424
2-(4-nitrophenyl)butanedioate
CID 4632512
2-ethyl-N-(4-nitrophenyl)butanamide
CID 2931276
2,2-dichloro-N-[(1S,2R)-1-hydroxy-1-(4-nitrophenyl)butan-2-yl]acetamide
CID 59667733
2,2-dichloro-N-[(2R,3R)-2-(4-nitrophenyl)pentan-3-yl]acetamide
CID 88981539
2-(4-nitrophenyl)heptanoic acid
CID 18177956
(4-nitrophenyl) butanoate;2-(4-nitrophenyl)butanoic acid
CID 159031009
N-ethyl-2-[1-(3-nitrophenyl)propylamino]propanamide
CID 43574201

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-nitrophenyl)butanamide?
The IUPAC name of N-ethyl-2-(4-nitrophenyl)butanamide (CID 20667169) is N-ethyl-2-(4-nitrophenyl)butanamide.
What is the SMILES notation for N-ethyl-2-(4-nitrophenyl)butanamide?
The canonical SMILES for N-ethyl-2-(4-nitrophenyl)butanamide is CCNC(=O)C(CC)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-ethyl-2-(4-nitrophenyl)butanamide?
The InChIKey is MXPDJKDARXGSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-11(12(15)13-4-2)9-5-7-10(8-6-9)14(16)17/h5-8,11H,3-4H2,1-2H3,(H,13,15).
What are the key properties of N-ethyl-2-(4-nitrophenyl)butanamide?
N-ethyl-2-(4-nitrophenyl)butanamide has a molecular weight of 236.27 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-nitrophenyl)butanamide is sourced from PubChem (CID 20667169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).