2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide

C21H27N3O2 — CID 110674963

IUPAC2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cc2ccc(N(C)C(C)=O)cc2)cc1
InChIInChI=1S/C21H27N3O2/c1-5-24(6-2)20-13-9-18(10-14-20)22-21(26)15-17-7-11-19(12-8-17)23(4)16(3)25/h7-14H,5-6,15H2,1-4H3,(H,22,26)
InChIKeyABMCZEKKRAVJHE-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.70
Rot. Bonds7

About 2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide

2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide (PubChem CID 110674963) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide
PubChem CID110674963
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide
SMILESCCN(CC)c1ccc(NC(=O)Cc2ccc(N(C)C(C)=O)cc2)cc1
InChIInChI=1S/C21H27N3O2/c1-5-24(6-2)20-13-9-18(10-14-20)22-21(26)15-17-7-11-19(12-8-17)23(4)16(3)25/h7-14H,5-6,15H2,1-4H3,(H,22,26)
InChIKeyABMCZEKKRAVJHE-UHFFFAOYSA-N
XLogP3.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)acetamide
CID 849192
2-[4-[acetyl(methyl)amino]phenyl]-N-(4-cyanophenyl)acetamide
CID 110674996
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide
CID 3250699
N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108956266
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86857797
2-[4-[acetyl(methyl)amino]phenyl]-N,N-diethylacetamide
CID 110674893
N-[4-[acetyl(methyl)amino]phenyl]-3-(4-aminophenyl)propanamide
CID 54794998
N-[4-(diethylamino)phenyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110424765
N-[[4-[acetyl(methyl)amino]phenyl]carbamothioyl]-2-(4-chlorophenyl)acetamide
CID 4936886
3-[4-(diethylamino)anilino]-3-oxopropanoic acid
CID 62230045
2-[acetyl(butan-2-yl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 113159160
3-[N-acetyl-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide
CID 113131894

Frequently Asked Questions

What is the IUPAC name of 2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide?
The IUPAC name of 2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide (CID 110674963) is 2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide.
What is the SMILES notation for 2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide?
The canonical SMILES for 2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide is CCN(CC)c1ccc(NC(=O)Cc2ccc(N(C)C(C)=O)cc2)cc1.
What is the InChIKey of 2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide?
The InChIKey is ABMCZEKKRAVJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-24(6-2)20-13-9-18(10-14-20)22-21(26)15-17-7-11-19(12-8-17)23(4)16(3)25/h7-14H,5-6,15H2,1-4H3,(H,22,26).
What are the key properties of 2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide?
2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[acetyl(methyl)amino]phenyl]-N-[4-(diethylamino)phenyl]acetamide is sourced from PubChem (CID 110674963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).