N-[2-(2-aminopropanoyl)-4-methoxyphenyl]acetamide

C12H16N2O3 — CID 105497647

IUPACN-[2-(2-aminopropanoyl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)c(C(=O)C(C)N)c1
InChIInChI=1S/C12H16N2O3/c1-7(13)12(16)10-6-9(17-3)4-5-11(10)14-8(2)15/h4-7H,13H2,1-3H3,(H,14,15)
InChIKeyOJNMGISIELVMSE-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.18
Rot. Bonds4

About N-[2-(2-aminopropanoyl)-4-methoxyphenyl]acetamide

N-[2-(2-aminopropanoyl)-4-methoxyphenyl]acetamide (PubChem CID 105497647) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[2-(2-aminopropanoyl)-4-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-aminopropanoyl)-4-methoxyphenyl]acetamide
PubChem CID105497647
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-[2-(2-aminopropanoyl)-4-methoxyphenyl]acetamide
SMILESCOc1ccc(NC(C)=O)c(C(=O)C(C)N)c1
InChIInChI=1S/C12H16N2O3/c1-7(13)12(16)10-6-9(17-3)4-5-11(10)14-8(2)15/h4-7H,13H2,1-3H3,(H,14,15)
InChIKeyOJNMGISIELVMSE-UHFFFAOYSA-N
XLogP1.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-5-methoxybenzoate
CID 6928297
N-[2-(3-aminobutyl)-4-methoxyphenyl]acetamide
CID 105497919
(2R)-2-amino-N-(2-formamido-5-methoxyphenyl)propanamide
CID 143527427
(2R)-2-amino-N-(2-iodo-5-methoxyphenyl)propanamide
CID 119307887
methyl 2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-5-methoxybenzoate;hydrochloride
CID 119752196
2-[(3-amino-2-methylbutanoyl)amino]-N-cyclopropyl-5-methoxybenzamide
CID 120500588
5-methoxy-2-(methylamino)benzamide
CID 66991664
methyl 3-(2,5-dimethoxyphenyl)-2-methyl-3-oxopropanoate
CID 112508924
2-amino-N-(2-iodo-5-methoxyphenyl)propanamide;hydrochloride
CID 119307884
(2S,3S)-2-amino-N-(2-benzoyl-4-methoxyphenyl)-3-methylpentanamide
CID 169181195
5-methoxy-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
CID 115412185
2-(3,3-dimethylbutan-2-ylcarbamoylamino)-5-methoxybenzoic acid
CID 104829305

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminopropanoyl)-4-methoxyphenyl]acetamide?
The IUPAC name of N-[2-(2-aminopropanoyl)-4-methoxyphenyl]acetamide (CID 105497647) is N-[2-(2-aminopropanoyl)-4-methoxyphenyl]acetamide.
What is the SMILES notation for N-[2-(2-aminopropanoyl)-4-methoxyphenyl]acetamide?
The canonical SMILES for N-[2-(2-aminopropanoyl)-4-methoxyphenyl]acetamide is COc1ccc(NC(C)=O)c(C(=O)C(C)N)c1.
What is the InChIKey of N-[2-(2-aminopropanoyl)-4-methoxyphenyl]acetamide?
The InChIKey is OJNMGISIELVMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7(13)12(16)10-6-9(17-3)4-5-11(10)14-8(2)15/h4-7H,13H2,1-3H3,(H,14,15).
What are the key properties of N-[2-(2-aminopropanoyl)-4-methoxyphenyl]acetamide?
N-[2-(2-aminopropanoyl)-4-methoxyphenyl]acetamide has a molecular weight of 236.27 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminopropanoyl)-4-methoxyphenyl]acetamide is sourced from PubChem (CID 105497647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).