[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate

C23H28N2O5 — CID 9345553

IUPAC[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
SMILESCCCN(Cc1ccc(C)cc1)C(=O)COC(=O)CNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H28N2O5/c1-4-13-25(15-18-7-5-17(2)6-8-18)21(26)16-30-22(27)14-24-23(28)19-9-11-20(29-3)12-10-19/h5-12H,4,13-16H2,1-3H3,(H,24,28)
InChIKeyUEKHKSIWZBGERI-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.72
Rot. Bonds10

About [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate

[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate (PubChem CID 9345553) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
PubChem CID9345553
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
SMILESCCCN(Cc1ccc(C)cc1)C(=O)COC(=O)CNC(=O)c1ccc(OC)cc1
InChIInChI=1S/C23H28N2O5/c1-4-13-25(15-18-7-5-17(2)6-8-18)21(26)16-30-22(27)14-24-23(28)19-9-11-20(29-3)12-10-19/h5-12H,4,13-16H2,1-3H3,(H,24,28)
InChIKeyUEKHKSIWZBGERI-UHFFFAOYSA-N
XLogP2.72
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)ethyl 2-[(4-methylbenzoyl)amino]acetate
CID 42008768
[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678967
2-(2-methoxyethoxy)-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 103602434
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8520315
[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 9289469
2-(methylamino)-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 60686287
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854515
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884860
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide
CID 24546571
N-tert-butyl-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 35214292
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 35576363

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The IUPAC name of [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate (CID 9345553) is [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate is CCCN(Cc1ccc(C)cc1)C(=O)COC(=O)CNC(=O)c1ccc(OC)cc1.
What is the InChIKey of [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
The InChIKey is UEKHKSIWZBGERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-4-13-25(15-18-7-5-17(2)6-8-18)21(26)16-30-22(27)14-24-23(28)19-9-11-20(29-3)12-10-19/h5-12H,4,13-16H2,1-3H3,(H,24,28).
What are the key properties of [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate?
[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate has a molecular weight of 412.49 g/mol, XLogP of 2.72, 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] 2-[(4-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 9345553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).