N'-(3-acetylphenyl)-N-[4-(diethylamino)phenyl]oxamide

C20H23N3O3 — CID 108515024

IUPACN'-(3-acetylphenyl)-N-[4-(diethylamino)phenyl]oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C20H23N3O3/c1-4-23(5-2)18-11-9-16(10-12-18)21-19(25)20(26)22-17-8-6-7-15(13-17)14(3)24/h6-13H,4-5H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyWDRHUZQORAYOON-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.31
Rot. Bonds6

About N'-(3-acetylphenyl)-N-[4-(diethylamino)phenyl]oxamide

N'-(3-acetylphenyl)-N-[4-(diethylamino)phenyl]oxamide (PubChem CID 108515024) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N'-(3-acetylphenyl)-N-[4-(diethylamino)phenyl]oxamide.

Molecular Properties

Compound NameN'-(3-acetylphenyl)-N-[4-(diethylamino)phenyl]oxamide
PubChem CID108515024
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN'-(3-acetylphenyl)-N-[4-(diethylamino)phenyl]oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2cccc(C(C)=O)c2)cc1
InChIInChI=1S/C20H23N3O3/c1-4-23(5-2)18-11-9-16(10-12-18)21-19(25)20(26)22-17-8-6-7-15(13-17)14(3)24/h6-13H,4-5H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyWDRHUZQORAYOON-UHFFFAOYSA-N
XLogP3.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide
CID 108514837
N-(4-acetylphenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108514878
methyl 3-[[2-[4-(diethylamino)-2-methylanilino]-2-oxoacetyl]amino]benzoate
CID 108987541
methyl 3-[[2-(4-acetylanilino)-2-oxoacetyl]amino]benzoate
CID 108987464
1-[4-(diethylamino)phenyl]-3-(3-methylphenyl)urea
CID 71323967
N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
CID 108512632
N-(3-bromophenyl)-4-(diethylamino)benzamide
CID 690499
N-[4-(diethylamino)phenyl]-3-methylbenzamide
CID 835431
N-(3-acetylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide
CID 108509256
ethyl 3-[[4-(diethylamino)benzoyl]amino]benzoate
CID 5194656
N-(3-acetylphenyl)propanamide
CID 903063
N'-(3-acetylphenyl)-N-(4-propan-2-yloxyphenyl)oxamide
CID 108987363

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetylphenyl)-N-[4-(diethylamino)phenyl]oxamide?
The IUPAC name of N'-(3-acetylphenyl)-N-[4-(diethylamino)phenyl]oxamide (CID 108515024) is N'-(3-acetylphenyl)-N-[4-(diethylamino)phenyl]oxamide.
What is the SMILES notation for N'-(3-acetylphenyl)-N-[4-(diethylamino)phenyl]oxamide?
The canonical SMILES for N'-(3-acetylphenyl)-N-[4-(diethylamino)phenyl]oxamide is CCN(CC)c1ccc(NC(=O)C(=O)Nc2cccc(C(C)=O)c2)cc1.
What is the InChIKey of N'-(3-acetylphenyl)-N-[4-(diethylamino)phenyl]oxamide?
The InChIKey is WDRHUZQORAYOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-23(5-2)18-11-9-16(10-12-18)21-19(25)20(26)22-17-8-6-7-15(13-17)14(3)24/h6-13H,4-5H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of N'-(3-acetylphenyl)-N-[4-(diethylamino)phenyl]oxamide?
N'-(3-acetylphenyl)-N-[4-(diethylamino)phenyl]oxamide has a molecular weight of 353.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetylphenyl)-N-[4-(diethylamino)phenyl]oxamide is sourced from PubChem (CID 108515024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).