methyl 2-[4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methylphenoxy]acetate

C20H22N2O5 — CID 47064323

IUPACmethyl 2-[4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methylphenoxy]acetate
SMILESCOC(=O)COc1ccc(NCC(=O)Nc2ccccc2C(C)=O)c(C)c1
InChIInChI=1S/C20H22N2O5/c1-13-10-15(27-12-20(25)26-3)8-9-17(13)21-11-19(24)22-18-7-5-4-6-16(18)14(2)23/h4-10,21H,11-12H2,1-3H3,(H,22,24)
InChIKeyVOMOJKFHPLDOIU-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.80
Rot. Bonds8

About methyl 2-[4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methylphenoxy]acetate

methyl 2-[4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methylphenoxy]acetate (PubChem CID 47064323) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is methyl 2-[4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methylphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methylphenoxy]acetate
PubChem CID47064323
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Namemethyl 2-[4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methylphenoxy]acetate
SMILESCOC(=O)COc1ccc(NCC(=O)Nc2ccccc2C(C)=O)c(C)c1
InChIInChI=1S/C20H22N2O5/c1-13-10-15(27-12-20(25)26-3)8-9-17(13)21-11-19(24)22-18-7-5-4-6-16(18)14(2)23/h4-10,21H,11-12H2,1-3H3,(H,22,24)
InChIKeyVOMOJKFHPLDOIU-UHFFFAOYSA-N
XLogP2.80
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze methyl 2-[4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methylphenoxy]acetate with MolForge

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Related Compounds

methyl 2-[4-[(2-anilino-2-oxoethyl)amino]-3-methylphenoxy]acetate
CID 60538614
methyl 2-[3-methyl-4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenoxy]acetate
CID 60538938
methyl 2-[3-methyl-4-[[2-oxo-2-(N-propan-2-ylanilino)ethyl]amino]phenoxy]acetate
CID 60538721
N-(2-chlorophenyl)-2-(4-methoxy-2-methylanilino)acetamide
CID 62871342
methyl 2-[4-(4-aminobutanoylamino)-3-methylphenoxy]acetate
CID 119299848
methyl 2-[3-methyl-4-(pyridin-3-ylmethylamino)phenoxy]acetate
CID 126832263
2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9103856
4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49433503
methyl 2-[4-[3-(2-chlorophenyl)propanoylamino]-3-methylphenoxy]acetate
CID 55916365
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 9272402
methyl 2-[4-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-3-methylphenoxy]acetate
CID 55916355
methyl 2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylphenoxy]acetate;hydrochloride
CID 119299831

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methylphenoxy]acetate?
The IUPAC name of methyl 2-[4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methylphenoxy]acetate (CID 47064323) is methyl 2-[4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methylphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methylphenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methylphenoxy]acetate is COC(=O)COc1ccc(NCC(=O)Nc2ccccc2C(C)=O)c(C)c1.
What is the InChIKey of methyl 2-[4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methylphenoxy]acetate?
The InChIKey is VOMOJKFHPLDOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-13-10-15(27-12-20(25)26-3)8-9-17(13)21-11-19(24)22-18-7-5-4-6-16(18)14(2)23/h4-10,21H,11-12H2,1-3H3,(H,22,24).
What are the key properties of methyl 2-[4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methylphenoxy]acetate?
methyl 2-[4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methylphenoxy]acetate has a molecular weight of 370.41 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methylphenoxy]acetate is sourced from PubChem (CID 47064323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).