N-[1-(3-nitrosophenyl)butyl]acetamide

C12H16N2O2 — CID 89044099

IUPACN-[1-(3-nitrosophenyl)butyl]acetamide
SMILESCCCC(NC(C)=O)c1cccc(N=O)c1
InChIInChI=1S/C12H16N2O2/c1-3-5-12(13-9(2)15)10-6-4-7-11(8-10)14-16/h4,6-8,12H,3,5H2,1-2H3,(H,13,15)
InChIKeyDQKHJZUDMIMODE-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.06
Rot. Bonds5

About N-[1-(3-nitrosophenyl)butyl]acetamide

N-[1-(3-nitrosophenyl)butyl]acetamide (PubChem CID 89044099) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[1-(3-nitrosophenyl)butyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-nitrosophenyl)butyl]acetamide
PubChem CID89044099
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[1-(3-nitrosophenyl)butyl]acetamide
SMILESCCCC(NC(C)=O)c1cccc(N=O)c1
InChIInChI=1S/C12H16N2O2/c1-3-5-12(13-9(2)15)10-6-4-7-11(8-10)14-16/h4,6-8,12H,3,5H2,1-2H3,(H,13,15)
InChIKeyDQKHJZUDMIMODE-UHFFFAOYSA-N
XLogP3.06
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-naphthalen-1-ylbutyl]acetamide
CID 101232635
methyl (3S)-3-(3-nitrosophenyl)pentanoate
CID 89202564
N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide
CID 169452771
N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]acetamide
CID 89324001
2-(methylamino)-1-(3-nitrosophenyl)ethanol
CID 143634279
1-phenylbutylurea
CID 2852079
3-acetamido-3-(3-methylphenyl)propanoic acid
CID 63650206
3-bromo-N-(1-phenylbutyl)benzamide
CID 60654945
3-acetamido-N-[1-(3-chlorophenyl)propyl]-3-phenylpropanamide
CID 134035215
2-(4-acetamidophenyl)-N-[(1R)-1-phenylbutyl]acetamide
CID 27856977
ethyl 4-acetamido-4-phenylbutanoate
CID 132511328
(2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide
CID 2466708

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-nitrosophenyl)butyl]acetamide?
The IUPAC name of N-[1-(3-nitrosophenyl)butyl]acetamide (CID 89044099) is N-[1-(3-nitrosophenyl)butyl]acetamide.
What is the SMILES notation for N-[1-(3-nitrosophenyl)butyl]acetamide?
The canonical SMILES for N-[1-(3-nitrosophenyl)butyl]acetamide is CCCC(NC(C)=O)c1cccc(N=O)c1.
What is the InChIKey of N-[1-(3-nitrosophenyl)butyl]acetamide?
The InChIKey is DQKHJZUDMIMODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-5-12(13-9(2)15)10-6-4-7-11(8-10)14-16/h4,6-8,12H,3,5H2,1-2H3,(H,13,15).
What are the key properties of N-[1-(3-nitrosophenyl)butyl]acetamide?
N-[1-(3-nitrosophenyl)butyl]acetamide has a molecular weight of 220.27 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-nitrosophenyl)butyl]acetamide is sourced from PubChem (CID 89044099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).