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

C12H16N2O4 — CID 112550483

IUPACN-(2-amino-2-oxoethoxy)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NOCC(N)=O)cc1
InChIInChI=1S/C12H16N2O4/c1-17-10-5-2-9(3-6-10)4-7-12(16)14-18-8-11(13)15/h2-3,5-6H,4,7-8H2,1H3,(H2,13,15)(H,14,16)
InChIKeyLNNSHARTOQJFHQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.16
Rot. Bonds7

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

N-(2-amino-2-oxoethoxy)-3-(4-methoxyphenyl)propanamide (PubChem CID 112550483) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-3-(4-methoxyphenyl)propanamide
PubChem CID112550483
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN-(2-amino-2-oxoethoxy)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NOCC(N)=O)cc1
InChIInChI=1S/C12H16N2O4/c1-17-10-5-2-9(3-6-10)4-7-12(16)14-18-8-11(13)15/h2-3,5-6H,4,7-8H2,1H3,(H2,13,15)(H,14,16)
InChIKeyLNNSHARTOQJFHQ-UHFFFAOYSA-N
XLogP0.16
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methylphenyl)propanamide
CID 112551081
N-(2-amino-2-sulfanylideneethyl)-3-(4-methoxyphenyl)propanamide
CID 61127665
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
5-(4-methoxyphenyl)pentanamide
CID 134389506
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 62093484
methyl N-[3-(4-methoxyphenyl)propanoylamino]carbamate
CID 14922045
2-[1-(4-methoxyphenyl)propan-2-ylamino]oxyacetamide
CID 112672774
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 94665559
2-amino-N'-[3-(4-methoxyphenyl)propanoyl]propanehydrazide
CID 112510933
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)propanoylamino]propyl]propanamide
CID 40592074

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-3-(4-methoxyphenyl)propanamide (CID 112550483) is N-(2-amino-2-oxoethoxy)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NOCC(N)=O)cc1.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-3-(4-methoxyphenyl)propanamide?
The InChIKey is LNNSHARTOQJFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-17-10-5-2-9(3-6-10)4-7-12(16)14-18-8-11(13)15/h2-3,5-6H,4,7-8H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of N-(2-amino-2-oxoethoxy)-3-(4-methoxyphenyl)propanamide?
N-(2-amino-2-oxoethoxy)-3-(4-methoxyphenyl)propanamide has a molecular weight of 252.27 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 112550483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).