N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide

C19H29N3O2 — CID 108504667

IUPACN-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)N2CCC(C)CC2)c(C)c1
InChIInChI=1S/C19H29N3O2/c1-5-21(6-2)16-7-8-17(15(4)13-16)20-18(23)19(24)22-11-9-14(3)10-12-22/h7-8,13-14H,5-6,9-12H2,1-4H3,(H,20,23)
InChIKeyUSXLKXHBWXGHOF-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.04
Rot. Bonds4

About N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide

N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 108504667) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
PubChem CID108504667
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)N2CCC(C)CC2)c(C)c1
InChIInChI=1S/C19H29N3O2/c1-5-21(6-2)16-7-8-17(15(4)13-16)20-18(23)19(24)22-11-9-14(3)10-12-22/h7-8,13-14H,5-6,9-12H2,1-4H3,(H,20,23)
InChIKeyUSXLKXHBWXGHOF-UHFFFAOYSA-N
XLogP3.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(diethylamino)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504633
N-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide
CID 837088
2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 108992892
4-butan-2-yl-N-[4-(diethylamino)-2-methylphenyl]piperazine-1-carboxamide
CID 113104284
N-(2,4-dimethylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoacetamide
CID 110901731
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
N-[4-(diethylamino)-2-methylphenyl]-2-[4-(4-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide
CID 46396902
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 44753800
N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523171
ethyl 1-[2-(4-chloro-2-methylanilino)-2-oxoacetyl]piperidine-4-carboxylate
CID 108504213
2-(4-acetylpiperazin-1-yl)-N-[4-(diethylamino)phenyl]-2-oxoacetamide
CID 108508432

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide (CID 108504667) is N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide is CCN(CC)c1ccc(NC(=O)C(=O)N2CCC(C)CC2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
The InChIKey is USXLKXHBWXGHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-5-21(6-2)16-7-8-17(15(4)13-16)20-18(23)19(24)22-11-9-14(3)10-12-22/h7-8,13-14H,5-6,9-12H2,1-4H3,(H,20,23).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide?
N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 331.46 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 108504667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).