N-(2-amino-2-oxoethoxy)-2-(4-chlorophenoxy)propanamide

C11H13ClN2O4 — CID 112551058

IUPACN-(2-amino-2-oxoethoxy)-2-(4-chlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NOCC(N)=O
InChIInChI=1S/C11H13ClN2O4/c1-7(11(16)14-17-6-10(13)15)18-9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3,(H2,13,15)(H,14,16)
InChIKeyVXJLQFFATCZFLU-UHFFFAOYSA-N
MW272.69 g/mol
LogP0.64
Rot. Bonds6

About N-(2-amino-2-oxoethoxy)-2-(4-chlorophenoxy)propanamide

N-(2-amino-2-oxoethoxy)-2-(4-chlorophenoxy)propanamide (PubChem CID 112551058) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-2-(4-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-2-(4-chlorophenoxy)propanamide
PubChem CID112551058
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC NameN-(2-amino-2-oxoethoxy)-2-(4-chlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NOCC(N)=O
InChIInChI=1S/C11H13ClN2O4/c1-7(11(16)14-17-6-10(13)15)18-9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3,(H2,13,15)(H,14,16)
InChIKeyVXJLQFFATCZFLU-UHFFFAOYSA-N
XLogP0.64
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 50.64
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

(2S)-2-(4-chlorophenoxy)-N-(2-hydroxyethoxy)propanamide
CID 164935451
(2S)-2-(4-chlorophenoxy)-N-(2-methoxyethoxy)propanamide
CID 164935442
2-(4-chlorophenoxy)-N-(2-methylsulfanylethoxy)propanamide
CID 170322640
(2S)-2-(4-chlorophenoxy)-N-phenylmethoxypropanamide
CID 26179915
N-(2-amino-2-oxoethoxy)-2-(3-methylphenoxy)propanamide
CID 112550466
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
(2S)-2-(4-chlorophenoxy)-N-(2-pyrrolidin-1-ylethoxy)propanamide
CID 164935393
N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4815395
2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 133249921
methyl 2-[2-(4-chlorophenoxy)propanoylamino]acetate
CID 43404771
4-[[(2R)-2-(4-chlorophenoxy)propanoyl]amino]benzamide
CID 7816278
2-(4-chlorophenoxy)-N-(1-phenylethoxy)propanamide
CID 170322536

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-2-(4-chlorophenoxy)propanamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-2-(4-chlorophenoxy)propanamide (CID 112551058) is N-(2-amino-2-oxoethoxy)-2-(4-chlorophenoxy)propanamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-2-(4-chlorophenoxy)propanamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-2-(4-chlorophenoxy)propanamide is CC(Oc1ccc(Cl)cc1)C(=O)NOCC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-2-(4-chlorophenoxy)propanamide?
The InChIKey is VXJLQFFATCZFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c1-7(11(16)14-17-6-10(13)15)18-9-4-2-8(12)3-5-9/h2-5,7H,6H2,1H3,(H2,13,15)(H,14,16).
What are the key properties of N-(2-amino-2-oxoethoxy)-2-(4-chlorophenoxy)propanamide?
N-(2-amino-2-oxoethoxy)-2-(4-chlorophenoxy)propanamide has a molecular weight of 272.69 g/mol, XLogP of 0.64, 6 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)-2-(4-chlorophenoxy)propanamide is sourced from PubChem (CID 112551058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).