[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate

C23H28N2O5 — CID 25368819

IUPAC[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)Cc1ccccc1OC
InChIInChI=1S/C23H28N2O5/c1-4-13-25(15-21(26)24-19-11-7-5-9-17(19)2)22(27)16-30-23(28)14-18-10-6-8-12-20(18)29-3/h5-12H,4,13-16H2,1-3H3,(H,24,26)
InChIKeyRPDHPLABJXHYBP-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.97
Rot. Bonds10

About [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate

[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate (PubChem CID 25368819) has the molecular formula C23H28N2O5 and a molecular weight of 412.49 g/mol. Its IUPAC name is [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
PubChem CID25368819
Molecular FormulaC23H28N2O5
Molecular Weight412.49 g/mol
Exact Mass412.20
IUPAC Name[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)Cc1ccccc1OC
InChIInChI=1S/C23H28N2O5/c1-4-13-25(15-21(26)24-19-11-7-5-9-17(19)2)22(27)16-30-23(28)14-18-10-6-8-12-20(18)29-3/h5-12H,4,13-16H2,1-3H3,(H,24,26)
InChIKeyRPDHPLABJXHYBP-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 30044360
2-[[2-(2-ethylphenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 55327341
[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 30046523
[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 42373991
[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 46796070
2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide
CID 119267704
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 113164550
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479
2-[[2-(2-formylphenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 24520865
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55904497
2-[[2-(4-fluorophenoxy)acetyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 38680702
4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide
CID 119267716

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
The IUPAC name of [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate (CID 25368819) is [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate.
What is the SMILES notation for [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
The canonical SMILES for [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate is CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)Cc1ccccc1OC.
What is the InChIKey of [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
The InChIKey is RPDHPLABJXHYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5/c1-4-13-25(15-21(26)24-19-11-7-5-9-17(19)2)22(27)16-30-23(28)14-18-10-6-8-12-20(18)29-3/h5-12H,4,13-16H2,1-3H3,(H,24,26).
What are the key properties of [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate?
[2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate has a molecular weight of 412.49 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate is sourced from PubChem (CID 25368819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).