N-(4-butyl-3-nitrophenyl)acetamide

C12H16N2O3 — CID 71393805

IUPACN-(4-butyl-3-nitrophenyl)acetamide
SMILESCCCCc1ccc(NC(C)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C12H16N2O3/c1-3-4-5-10-6-7-11(13-9(2)15)8-12(10)14(16)17/h6-8H,3-5H2,1-2H3,(H,13,15)
InChIKeyJWLDNOCBCXDMRS-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.90
Rot. Bonds5

About N-(4-butyl-3-nitrophenyl)acetamide

N-(4-butyl-3-nitrophenyl)acetamide (PubChem CID 71393805) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(4-butyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(4-butyl-3-nitrophenyl)acetamide
PubChem CID71393805
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(4-butyl-3-nitrophenyl)acetamide
SMILESCCCCc1ccc(NC(C)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C12H16N2O3/c1-3-4-5-10-6-7-11(13-9(2)15)8-12(10)14(16)17/h6-8H,3-5H2,1-2H3,(H,13,15)
InChIKeyJWLDNOCBCXDMRS-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
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

(3-nitro-4-propylphenyl)carbamic acid
CID 67247767
4-(4-ethyl-3-nitroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992988
2-amino-N-(4-ethyl-3-nitrophenyl)hexanamide
CID 60854572
2-(5-acetamido-2-nitrophenyl)acetic acid
CID 86172139
N-(4-ethyl-3-nitrophenyl)-4-hydroxybutanamide
CID 79204865
N-(4-butylphenyl)-2-(2,4-dinitrophenyl)acetamide
CID 3515824
N-butyl-4-ethyl-3-nitroaniline
CID 43733217
N-(4-ethyl-3-nitrophenyl)-5-hydroxypentanamide
CID 79199585
2-acetamido-N-(4-ethyl-3-nitrophenyl)-3-methylbutanamide
CID 86925247
3-nitro-4-pentylbenzoic acid
CID 70306199
5-bromo-N-(4-ethyl-3-nitrophenyl)pentanamide
CID 114014780
3-nitro-4-pentylbenzoyl chloride
CID 21484502

Frequently Asked Questions

What is the IUPAC name of N-(4-butyl-3-nitrophenyl)acetamide?
The IUPAC name of N-(4-butyl-3-nitrophenyl)acetamide (CID 71393805) is N-(4-butyl-3-nitrophenyl)acetamide.
What is the SMILES notation for N-(4-butyl-3-nitrophenyl)acetamide?
The canonical SMILES for N-(4-butyl-3-nitrophenyl)acetamide is CCCCc1ccc(NC(C)=O)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-butyl-3-nitrophenyl)acetamide?
The InChIKey is JWLDNOCBCXDMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-4-5-10-6-7-11(13-9(2)15)8-12(10)14(16)17/h6-8H,3-5H2,1-2H3,(H,13,15).
What are the key properties of N-(4-butyl-3-nitrophenyl)acetamide?
N-(4-butyl-3-nitrophenyl)acetamide has a molecular weight of 236.27 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 71393805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).