[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 2-(4-aminophenoxy)acetate

C14H18N2O4 — CID 61489511

IUPAC[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 2-(4-aminophenoxy)acetate
SMILESCN(C(=O)COC(=O)COc1ccc(N)cc1)C1CC1
InChIInChI=1S/C14H18N2O4/c1-16(11-4-5-11)13(17)8-20-14(18)9-19-12-6-2-10(15)3-7-12/h2-3,6-7,11H,4-5,8-9,15H2,1H3
InChIKeyNFOIEYFNSLRCEX-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.81
Rot. Bonds6

About [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 2-(4-aminophenoxy)acetate

[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 2-(4-aminophenoxy)acetate (PubChem CID 61489511) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 2-(4-aminophenoxy)acetate.

Molecular Properties

Compound Name[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 2-(4-aminophenoxy)acetate
PubChem CID61489511
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 2-(4-aminophenoxy)acetate
SMILESCN(C(=O)COC(=O)COc1ccc(N)cc1)C1CC1
InChIInChI=1S/C14H18N2O4/c1-16(11-4-5-11)13(17)8-20-14(18)9-19-12-6-2-10(15)3-7-12/h2-3,6-7,11H,4-5,8-9,15H2,1H3
InChIKeyNFOIEYFNSLRCEX-UHFFFAOYSA-N
XLogP0.81
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598191
3-(4-aminophenoxy)-N-cyclohexyl-N-methylpropanamide
CID 61090557
2-(4-cyanophenoxy)-N-cyclopropyl-N-methylacetamide
CID 43243621
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopropyl-N-methylacetamide
CID 78936986
N-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide
CID 60749452
2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide
CID 43264480
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
N-cyclohexyl-2-(4-formylphenoxy)-N-methylacetamide
CID 23410696
2-(4-bromophenoxy)-N-cyclohexyl-N-methylacetamide
CID 46771197
2-(4-bromophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55469833
2-(4-chlorophenoxy)-N-methyl-N-[4-(methylamino)cyclohexyl]acetamide
CID 79117952

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 2-(4-aminophenoxy)acetate?
The IUPAC name of [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 2-(4-aminophenoxy)acetate (CID 61489511) is [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 2-(4-aminophenoxy)acetate.
What is the SMILES notation for [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 2-(4-aminophenoxy)acetate?
The canonical SMILES for [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 2-(4-aminophenoxy)acetate is CN(C(=O)COC(=O)COc1ccc(N)cc1)C1CC1.
What is the InChIKey of [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 2-(4-aminophenoxy)acetate?
The InChIKey is NFOIEYFNSLRCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-16(11-4-5-11)13(17)8-20-14(18)9-19-12-6-2-10(15)3-7-12/h2-3,6-7,11H,4-5,8-9,15H2,1H3.
What are the key properties of [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 2-(4-aminophenoxy)acetate?
[2-[cyclopropyl(methyl)amino]-2-oxoethyl] 2-(4-aminophenoxy)acetate has a molecular weight of 278.31 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopropyl(methyl)amino]-2-oxoethyl] 2-(4-aminophenoxy)acetate is sourced from PubChem (CID 61489511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).