methyl 2-[4-[3-(2-chlorophenyl)propanoylamino]-3-methylphenoxy]acetate

C19H20ClNO4 — CID 55916365

IUPACmethyl 2-[4-[3-(2-chlorophenyl)propanoylamino]-3-methylphenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)CCc2ccccc2Cl)c(C)c1
InChIInChI=1S/C19H20ClNO4/c1-13-11-15(25-12-19(23)24-2)8-9-17(13)21-18(22)10-7-14-5-3-4-6-16(14)20/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,21,22)
InChIKeyBSUCSRUQQBNMBC-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.77
Rot. Bonds7

About methyl 2-[4-[3-(2-chlorophenyl)propanoylamino]-3-methylphenoxy]acetate

methyl 2-[4-[3-(2-chlorophenyl)propanoylamino]-3-methylphenoxy]acetate (PubChem CID 55916365) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is methyl 2-[4-[3-(2-chlorophenyl)propanoylamino]-3-methylphenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[3-(2-chlorophenyl)propanoylamino]-3-methylphenoxy]acetate
PubChem CID55916365
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Namemethyl 2-[4-[3-(2-chlorophenyl)propanoylamino]-3-methylphenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)CCc2ccccc2Cl)c(C)c1
InChIInChI=1S/C19H20ClNO4/c1-13-11-15(25-12-19(23)24-2)8-9-17(13)21-18(22)10-7-14-5-3-4-6-16(14)20/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,21,22)
InChIKeyBSUCSRUQQBNMBC-UHFFFAOYSA-N
XLogP3.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(4-aminobutanoylamino)-3-methylphenoxy]acetate
CID 119299848
3-(2-chlorophenyl)-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide
CID 55763808
2-[4-[4-(2-chlorophenoxy)butanoylamino]-3-methylphenoxy]acetic acid
CID 119231408
3-(2-aminophenyl)-N-(4-butoxy-2-methylphenyl)propanamide
CID 120609491
N-[[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamothioyl]-3-(2-chlorophenyl)propanamide
CID 17179467
methyl 2-[4-[(2-anilino-2-oxoethyl)amino]-3-methylphenoxy]acetate
CID 60538614
3-(2-chlorophenyl)-N-(2-methoxyphenyl)propanamide
CID 17178984
3-(2-chlorophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide
CID 134023443
N-(4-amino-2-methoxyphenyl)-3-(2-chlorophenyl)propanamide
CID 54852878
methyl 2-[4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methylphenoxy]acetate
CID 47064323
methyl 2-[3-methyl-4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenoxy]acetate
CID 55915985
2-(4-chloro-3-ethylphenoxy)-N-(2-methylphenyl)acetamide
CID 18074792

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[3-(2-chlorophenyl)propanoylamino]-3-methylphenoxy]acetate?
The IUPAC name of methyl 2-[4-[3-(2-chlorophenyl)propanoylamino]-3-methylphenoxy]acetate (CID 55916365) is methyl 2-[4-[3-(2-chlorophenyl)propanoylamino]-3-methylphenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[3-(2-chlorophenyl)propanoylamino]-3-methylphenoxy]acetate?
The canonical SMILES for methyl 2-[4-[3-(2-chlorophenyl)propanoylamino]-3-methylphenoxy]acetate is COC(=O)COc1ccc(NC(=O)CCc2ccccc2Cl)c(C)c1.
What is the InChIKey of methyl 2-[4-[3-(2-chlorophenyl)propanoylamino]-3-methylphenoxy]acetate?
The InChIKey is BSUCSRUQQBNMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-13-11-15(25-12-19(23)24-2)8-9-17(13)21-18(22)10-7-14-5-3-4-6-16(14)20/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,21,22).
What are the key properties of methyl 2-[4-[3-(2-chlorophenyl)propanoylamino]-3-methylphenoxy]acetate?
methyl 2-[4-[3-(2-chlorophenyl)propanoylamino]-3-methylphenoxy]acetate has a molecular weight of 361.83 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[3-(2-chlorophenyl)propanoylamino]-3-methylphenoxy]acetate is sourced from PubChem (CID 55916365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).