[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate

C22H26N2O5 — CID 8678967

IUPAC[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
SMILESCCCN(Cc1ccc(C)cc1)C(=O)COC(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C22H26N2O5/c1-3-12-24(13-17-6-4-16(2)5-7-17)21(26)15-29-22(27)18-8-10-19(11-9-18)28-14-20(23)25/h4-11H,3,12-15H2,1-2H3,(H2,23,25)
InChIKeyQAXYLISOHLVORY-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.45
Rot. Bonds10

About [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate

[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate (PubChem CID 8678967) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate.

Molecular Properties

Compound Name[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
PubChem CID8678967
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
SMILESCCCN(Cc1ccc(C)cc1)C(=O)COC(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C22H26N2O5/c1-3-12-24(13-17-6-4-16(2)5-7-17)21(26)15-29-22(27)18-8-10-19(11-9-18)28-14-20(23)25/h4-11H,3,12-15H2,1-2H3,(H2,23,25)
InChIKeyQAXYLISOHLVORY-UHFFFAOYSA-N
XLogP2.45
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 9289469
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678279
[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 9345553
4-[2-(dipropylamino)-2-oxoethoxy]benzamide
CID 8566203
[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 8808568
ethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 43910600
2-(2-methoxyethoxy)-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 103602434
ethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932618
[2-(N-ethyl-2-methylanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 18128442
3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid
CID 82325601
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 7872740
2-(4-carbamothioylphenoxy)-N-ethyl-N-propylacetamide
CID 43268912

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate?
The IUPAC name of [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate (CID 8678967) is [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate.
What is the SMILES notation for [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate?
The canonical SMILES for [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate is CCCN(Cc1ccc(C)cc1)C(=O)COC(=O)c1ccc(OCC(N)=O)cc1.
What is the InChIKey of [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate?
The InChIKey is QAXYLISOHLVORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-3-12-24(13-17-6-4-16(2)5-7-17)21(26)15-29-22(27)18-8-10-19(11-9-18)28-14-20(23)25/h4-11H,3,12-15H2,1-2H3,(H2,23,25).
What are the key properties of [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate?
[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate has a molecular weight of 398.46 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate is sourced from PubChem (CID 8678967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).