N-[4-acetyl-3-(aminomethyl)phenyl]acetamide

C11H14N2O2 — CID 150539337

IUPACN-[4-acetyl-3-(aminomethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(C)=O)c(CN)c1
InChIInChI=1S/C11H14N2O2/c1-7(14)11-4-3-10(13-8(2)15)5-9(11)6-12/h3-5H,6,12H2,1-2H3,(H,13,15)
InChIKeyIFNPGFNFPRNAAC-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.31
Rot. Bonds3

About N-[4-acetyl-3-(aminomethyl)phenyl]acetamide

N-[4-acetyl-3-(aminomethyl)phenyl]acetamide (PubChem CID 150539337) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is N-[4-acetyl-3-(aminomethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-acetyl-3-(aminomethyl)phenyl]acetamide
PubChem CID150539337
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC NameN-[4-acetyl-3-(aminomethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(C)=O)c(CN)c1
InChIInChI=1S/C11H14N2O2/c1-7(14)11-4-3-10(13-8(2)15)5-9(11)6-12/h3-5H,6,12H2,1-2H3,(H,13,15)
InChIKeyIFNPGFNFPRNAAC-UHFFFAOYSA-N
XLogP1.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)-4-fluorophenyl]acetamide
CID 62317128
N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide
CID 63755124
N-(4-acetyl-3-methylphenyl)acetamide
CID 2737381
4-acetyl-3-(aminomethyl)benzonitrile
CID 118351931
[4-acetyl-3-(2,2-dimethylpropyl)phenyl]thiourea
CID 123523259
N-(4-acetyl-3-methoxyphenyl)acetamide
CID 13221159
N-[3-(aminomethyl)-4-methylphenyl]-2-methylpropanamide
CID 82507167
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
N-[3-(3-aminopropyl)-4-methoxyphenyl]acetamide
CID 96659275
N-(3-ethyl-4-propan-2-yloxyphenyl)acetamide
CID 66916731
N-(5-acetamido-2-ethylphenyl)-2-aminoacetamide
CID 39185204
2-(5-acetamido-2-methoxyphenyl)acetamide
CID 82494406

Frequently Asked Questions

What is the IUPAC name of N-[4-acetyl-3-(aminomethyl)phenyl]acetamide?
The IUPAC name of N-[4-acetyl-3-(aminomethyl)phenyl]acetamide (CID 150539337) is N-[4-acetyl-3-(aminomethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-acetyl-3-(aminomethyl)phenyl]acetamide?
The canonical SMILES for N-[4-acetyl-3-(aminomethyl)phenyl]acetamide is CC(=O)Nc1ccc(C(C)=O)c(CN)c1.
What is the InChIKey of N-[4-acetyl-3-(aminomethyl)phenyl]acetamide?
The InChIKey is IFNPGFNFPRNAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7(14)11-4-3-10(13-8(2)15)5-9(11)6-12/h3-5H,6,12H2,1-2H3,(H,13,15).
What are the key properties of N-[4-acetyl-3-(aminomethyl)phenyl]acetamide?
N-[4-acetyl-3-(aminomethyl)phenyl]acetamide has a molecular weight of 206.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetyl-3-(aminomethyl)phenyl]acetamide is sourced from PubChem (CID 150539337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).