[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate

C21H23N3O5 — CID 46644800

IUPAC[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
SMILESNC(=O)CCN(C(=O)COC(=O)CNC(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H23N3O5/c22-18(25)11-12-24(17-9-5-2-6-10-17)20(27)15-29-21(28)14-23-19(26)13-16-7-3-1-4-8-16/h1-10H,11-15H2,(H2,22,25)(H,23,26)
InChIKeyJBFWSUZYIVUDKX-UHFFFAOYSA-N
MW397.43 g/mol
LogP0.80
Rot. Bonds10

About [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate

[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate (PubChem CID 46644800) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate.

Molecular Properties

Compound Name[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
PubChem CID46644800
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
SMILESNC(=O)CCN(C(=O)COC(=O)CNC(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C21H23N3O5/c22-18(25)11-12-24(17-9-5-2-6-10-17)20(27)15-29-21(28)14-23-19(26)13-16-7-3-1-4-8-16/h1-10H,11-15H2,(H2,22,25)(H,23,26)
InChIKeyJBFWSUZYIVUDKX-UHFFFAOYSA-N
XLogP0.80
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 24526856
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 27323808
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 37325499
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 27312565
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 37324858
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 4-benzoylbenzoate
CID 24526690
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide
CID 119275160
[2-[(3-amino-3-oxopropyl)-benzylamino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 18276130
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 27199501
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 40692886
3-(N-[2-(2,6-dichlorophenoxy)acetyl]anilino)propanamide
CID 51263825

Frequently Asked Questions

What is the IUPAC name of [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate?
The IUPAC name of [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate (CID 46644800) is [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate.
What is the SMILES notation for [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate?
The canonical SMILES for [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate is NC(=O)CCN(C(=O)COC(=O)CNC(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate?
The InChIKey is JBFWSUZYIVUDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c22-18(25)11-12-24(17-9-5-2-6-10-17)20(27)15-29-21(28)14-23-19(26)13-16-7-3-1-4-8-16/h1-10H,11-15H2,(H2,22,25)(H,23,26).
What are the key properties of [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate?
[2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate has a molecular weight of 397.43 g/mol, XLogP of 0.80, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate is sourced from PubChem (CID 46644800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).