N-(4-acetylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide

C21H25N3O3 — CID 108964579

IUPACN-(4-acetylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
SMILESCC(=O)c1ccc(NC(=O)C(C)(C)C(=O)N(C)CCc2ccncc2)cc1
InChIInChI=1S/C21H25N3O3/c1-15(25)17-5-7-18(8-6-17)23-19(26)21(2,3)20(27)24(4)14-11-16-9-12-22-13-10-16/h5-10,12-13H,11,14H2,1-4H3,(H,23,26)
InChIKeyHLCUQUSMWXQKKD-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.95
Rot. Bonds7

About N-(4-acetylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide

N-(4-acetylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide (PubChem CID 108964579) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
PubChem CID108964579
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(4-acetylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
SMILESCC(=O)c1ccc(NC(=O)C(C)(C)C(=O)N(C)CCc2ccncc2)cc1
InChIInChI=1S/C21H25N3O3/c1-15(25)17-5-7-18(8-6-17)23-19(26)21(2,3)20(27)24(4)14-11-16-9-12-22-13-10-16/h5-10,12-13H,11,14H2,1-4H3,(H,23,26)
InChIKeyHLCUQUSMWXQKKD-UHFFFAOYSA-N
XLogP2.95
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108960203
N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide
CID 62847427
N-(4-chloro-2-methylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964558
N-[3-(dimethylamino)propyl]-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108960527
N-benzyl-N,N',2,2-tetramethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108962257
N-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985626
2-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309090
N-(4-acetamidophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026239
6-(4-acetylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109351695
6-(4-acetylanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109372363
4-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110757168
2-(4-tert-butylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001538

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The IUPAC name of N-(4-acetylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide (CID 108964579) is N-(4-acetylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide.
What is the SMILES notation for N-(4-acetylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The canonical SMILES for N-(4-acetylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide is CC(=O)c1ccc(NC(=O)C(C)(C)C(=O)N(C)CCc2ccncc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide?
The InChIKey is HLCUQUSMWXQKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15(25)17-5-7-18(8-6-17)23-19(26)21(2,3)20(27)24(4)14-11-16-9-12-22-13-10-16/h5-10,12-13H,11,14H2,1-4H3,(H,23,26).
What are the key properties of N-(4-acetylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide?
N-(4-acetylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide has a molecular weight of 367.45 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide is sourced from PubChem (CID 108964579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).