N-(4-butoxy-2-nitrophenyl)formamide

C11H14N2O4 — CID 58958317

IUPACN-(4-butoxy-2-nitrophenyl)formamide
SMILESCCCCOc1ccc(NC=O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14N2O4/c1-2-3-6-17-9-4-5-10(12-8-14)11(7-9)13(15)16/h4-5,7-8H,2-3,6H2,1H3,(H,12,14)
InChIKeyYIWZHSXUYKGSOZ-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.34
Rot. Bonds7

About N-(4-butoxy-2-nitrophenyl)formamide

N-(4-butoxy-2-nitrophenyl)formamide (PubChem CID 58958317) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is N-(4-butoxy-2-nitrophenyl)formamide.

Molecular Properties

Compound NameN-(4-butoxy-2-nitrophenyl)formamide
PubChem CID58958317
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC NameN-(4-butoxy-2-nitrophenyl)formamide
SMILESCCCCOc1ccc(NC=O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14N2O4/c1-2-3-6-17-9-4-5-10(12-8-14)11(7-9)13(15)16/h4-5,7-8H,2-3,6H2,1H3,(H,12,14)
InChIKeyYIWZHSXUYKGSOZ-UHFFFAOYSA-N
XLogP2.34
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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

N-(4-ethoxy-2-nitrophenyl)pentanamide
CID 4295410
N-(3-butoxypropyl)-4-methoxy-2-nitroaniline
CID 115569626
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide
CID 110493042
5-heptoxy-2-nitrobenzonitrile
CID 115501456
N-heptan-3-yl-4-methoxy-2-nitroaniline
CID 63947328
3-butoxy-N-[(4-methoxy-2-nitrophenyl)carbamothioyl]benzamide
CID 2927063
N-[4-(aminomethyl)-2-nitrophenyl]formamide
CID 82505373
4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide
CID 110492988
N-(2-nitro-4-propoxyphenyl)cyclobutanecarboxamide
CID 110493070
N-(2,2-dimethylpropyl)-4-ethoxy-2-nitroaniline
CID 61323922
N-(4-ethoxy-2-nitrophenyl)methanesulfonamide
CID 60640247

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxy-2-nitrophenyl)formamide?
The IUPAC name of N-(4-butoxy-2-nitrophenyl)formamide (CID 58958317) is N-(4-butoxy-2-nitrophenyl)formamide.
What is the SMILES notation for N-(4-butoxy-2-nitrophenyl)formamide?
The canonical SMILES for N-(4-butoxy-2-nitrophenyl)formamide is CCCCOc1ccc(NC=O)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-butoxy-2-nitrophenyl)formamide?
The InChIKey is YIWZHSXUYKGSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-2-3-6-17-9-4-5-10(12-8-14)11(7-9)13(15)16/h4-5,7-8H,2-3,6H2,1H3,(H,12,14).
What are the key properties of N-(4-butoxy-2-nitrophenyl)formamide?
N-(4-butoxy-2-nitrophenyl)formamide has a molecular weight of 238.24 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxy-2-nitrophenyl)formamide is sourced from PubChem (CID 58958317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).