N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide

C20H30N4O3 — CID 86928300

IUPACN-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)NC(=O)CN2CCN(C(=O)C(C)(C)C)CC2)c(C)c1
InChIInChI=1S/C20H30N4O3/c1-14-6-7-16(15(2)12-14)21-19(27)22-17(25)13-23-8-10-24(11-9-23)18(26)20(3,4)5/h6-7,12H,8-11,13H2,1-5H3,(H2,21,22,25,27)
InChIKeyBPPOFCYYBDKAEM-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.14
Rot. Bonds3

About N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide

N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide (PubChem CID 86928300) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide
PubChem CID86928300
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide
SMILESCc1ccc(NC(=O)NC(=O)CN2CCN(C(=O)C(C)(C)C)CC2)c(C)c1
InChIInChI=1S/C20H30N4O3/c1-14-6-7-16(15(2)12-14)21-19(27)22-17(25)13-23-8-10-24(11-9-23)18(26)20(3,4)5/h6-7,12H,8-11,13H2,1-5H3,(H2,21,22,25,27)
InChIKeyBPPOFCYYBDKAEM-UHFFFAOYSA-N
XLogP2.14
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932030
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 9362056
N-cyclopropyl-2-[4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 9438309
N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 18083622
N-(2-chloro-4-methylphenyl)-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide
CID 86928272
1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907840
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 26666784
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 8591190
2-(2,6-dimethylmorpholin-4-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 51170490
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27186213
2-[4,7-bis(carboxymethyl)-10-[2-(2,4-dimethylanilino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 58121003
2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide
CID 171327747

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide (CID 86928300) is N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide is Cc1ccc(NC(=O)NC(=O)CN2CCN(C(=O)C(C)(C)C)CC2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide?
The InChIKey is BPPOFCYYBDKAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-14-6-7-16(15(2)12-14)21-19(27)22-17(25)13-23-8-10-24(11-9-23)18(26)20(3,4)5/h6-7,12H,8-11,13H2,1-5H3,(H2,21,22,25,27).
What are the key properties of N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide?
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide has a molecular weight of 374.49 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 86928300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).