2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]ethyl acetate

C17H24N2O4 — CID 75450680

IUPAC2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]ethyl acetate
SMILESCCNC(=O)CCCC(=O)Nc1cccc(CCOC(C)=O)c1
InChIInChI=1S/C17H24N2O4/c1-3-18-16(21)8-5-9-17(22)19-15-7-4-6-14(12-15)10-11-23-13(2)20/h4,6-7,12H,3,5,8-11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyMBTTWUQSUKHQON-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.04
Rot. Bonds9

About 2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]ethyl acetate

2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]ethyl acetate (PubChem CID 75450680) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]ethyl acetate.

Molecular Properties

Compound Name2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]ethyl acetate
PubChem CID75450680
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]ethyl acetate
SMILESCCNC(=O)CCCC(=O)Nc1cccc(CCOC(C)=O)c1
InChIInChI=1S/C17H24N2O4/c1-3-18-16(21)8-5-9-17(22)19-15-7-4-6-14(12-15)10-11-23-13(2)20/h4,6-7,12H,3,5,8-11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyMBTTWUQSUKHQON-UHFFFAOYSA-N
XLogP2.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]acetic acid
CID 119351665
N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide
CID 63684342
3-[3-(pentanoylamino)phenyl]propanoic acid
CID 28759634
N-[3-[[3-(hexanoylamino)phenyl]methyl]phenyl]hexanamide
CID 101187552
(6-anilino-6-oxohexyl) acetate
CID 154158064
N-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide
CID 78986765
4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide
CID 119312070
N'-[3-(2-aminoethylsulfamoyl)phenyl]-N-ethylpentanediamide
CID 119465943
N-(3-ethylphenyl)decanamide
CID 4053743
3-chloro-N-(3-pentylphenyl)propanamide
CID 46837314
4-amino-N-[3-(methoxymethyl)phenyl]butanamide
CID 43698497
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide
CID 54795554

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]ethyl acetate?
The IUPAC name of 2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]ethyl acetate (CID 75450680) is 2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]ethyl acetate.
What is the SMILES notation for 2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]ethyl acetate?
The canonical SMILES for 2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]ethyl acetate is CCNC(=O)CCCC(=O)Nc1cccc(CCOC(C)=O)c1.
What is the InChIKey of 2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]ethyl acetate?
The InChIKey is MBTTWUQSUKHQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-3-18-16(21)8-5-9-17(22)19-15-7-4-6-14(12-15)10-11-23-13(2)20/h4,6-7,12H,3,5,8-11H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]ethyl acetate?
2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]ethyl acetate has a molecular weight of 320.39 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-(ethylamino)-5-oxopentanoyl]amino]phenyl]ethyl acetate is sourced from PubChem (CID 75450680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).