N-(2-amino-2-oxoethoxy)-3-(4-methylphenyl)propanamide

C12H16N2O3 — CID 112551081

IUPACN-(2-amino-2-oxoethoxy)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NOCC(N)=O)cc1
InChIInChI=1S/C12H16N2O3/c1-9-2-4-10(5-3-9)6-7-12(16)14-17-8-11(13)15/h2-5H,6-8H2,1H3,(H2,13,15)(H,14,16)
InChIKeyFHUSDSHGTVVKMY-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.46
Rot. Bonds6

About N-(2-amino-2-oxoethoxy)-3-(4-methylphenyl)propanamide

N-(2-amino-2-oxoethoxy)-3-(4-methylphenyl)propanamide (PubChem CID 112551081) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-3-(4-methylphenyl)propanamide
PubChem CID112551081
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-(2-amino-2-oxoethoxy)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NOCC(N)=O)cc1
InChIInChI=1S/C12H16N2O3/c1-9-2-4-10(5-3-9)6-7-12(16)14-17-8-11(13)15/h2-5H,6-8H2,1H3,(H2,13,15)(H,14,16)
InChIKeyFHUSDSHGTVVKMY-UHFFFAOYSA-N
XLogP0.46
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethoxy)-3-(4-methoxyphenyl)propanamide
CID 112550483
ethane;3-(4-methylphenyl)propanamide
CID 142510251
N,3-bis(4-methylphenyl)propanamide
CID 19220434
4-amino-2-[3-(4-methylphenyl)propanoylamino]-4-oxobutanoic acid
CID 43357198
(2R)-4-amino-2-[3-(4-methylphenyl)propanoylamino]-4-oxobutanoic acid
CID 107821277
5-amino-2-[3-(4-methylphenyl)propanoylamino]-5-oxopentanoic acid
CID 43358715
2-[3-(4-methylphenyl)propanoylamino]acetic acid
CID 43354539
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602
N-(2-amino-2-oxoethyl)-5-(4-methylphenyl)pentanamide
CID 56784821
3-(4-fluorophenyl)-N-(2-methoxyethoxy)propanamide
CID 79676858
N'-amino-3-(4-methylphenyl)propanimidamide
CID 62503804

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-3-(4-methylphenyl)propanamide (CID 112551081) is N-(2-amino-2-oxoethoxy)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NOCC(N)=O)cc1.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-3-(4-methylphenyl)propanamide?
The InChIKey is FHUSDSHGTVVKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9-2-4-10(5-3-9)6-7-12(16)14-17-8-11(13)15/h2-5H,6-8H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of N-(2-amino-2-oxoethoxy)-3-(4-methylphenyl)propanamide?
N-(2-amino-2-oxoethoxy)-3-(4-methylphenyl)propanamide has a molecular weight of 236.27 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 112551081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).