N-(2-butan-2-ylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide

C24H31N3O2 — CID 108532341

IUPACN-(2-butan-2-ylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCCC(C)c1ccccc1NC(=O)C(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C24H31N3O2/c1-5-17(2)20-10-6-7-11-21(20)25-23(28)24(29)27-15-13-26(14-16-27)22-12-8-9-18(3)19(22)4/h6-12,17H,5,13-16H2,1-4H3,(H,25,28)
InChIKeyKOICVEMQSZTVOG-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.10
Rot. Bonds4

About N-(2-butan-2-ylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide

N-(2-butan-2-ylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 108532341) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID108532341
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-(2-butan-2-ylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCCC(C)c1ccccc1NC(=O)C(=O)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C24H31N3O2/c1-5-17(2)20-10-6-7-11-21(20)25-23(28)24(29)27-15-13-26(14-16-27)22-12-8-9-18(3)19(22)4/h6-12,17H,5,13-16H2,1-4H3,(H,25,28)
InChIKeyKOICVEMQSZTVOG-UHFFFAOYSA-N
XLogP4.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 8582689
N-(2-butan-2-ylphenyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108531684
N-(2-butan-2-ylphenyl)-N'-(2,3-dimethylphenyl)oxamide
CID 108515395
N-(2-butan-2-ylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 108531813
N-(2,3-dichlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108500858
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-propan-2-ylanilino)ethanone
CID 109004243
N-(2,3-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111919
N-(2-butan-2-ylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505764
N-[2-[(2S)-butan-2-yl]phenyl]-4-(3-methyl-4-pyridinyl)piperazine-1-carboxamide
CID 125164251
4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide
CID 1305709
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpentan-1-one
CID 3296899
2-chloro-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 43243118

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide (CID 108532341) is N-(2-butan-2-ylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide is CCC(C)c1ccccc1NC(=O)C(=O)N1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of N-(2-butan-2-ylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is KOICVEMQSZTVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-5-17(2)20-10-6-7-11-21(20)25-23(28)24(29)27-15-13-26(14-16-27)22-12-8-9-18(3)19(22)4/h6-12,17H,5,13-16H2,1-4H3,(H,25,28).
What are the key properties of N-(2-butan-2-ylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide?
N-(2-butan-2-ylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 393.53 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108532341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).