N-(2-tert-butylphenyl)-4-[2-(N-methylanilino)-2-oxoethyl]piperazine-1-carboxamide

C24H32N4O2 — CID 3849424

IUPACN-(2-tert-butylphenyl)-4-[2-(N-methylanilino)-2-oxoethyl]piperazine-1-carboxamide
SMILESCN(C(=O)CN1CCN(C(=O)Nc2ccccc2C(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C24H32N4O2/c1-24(2,3)20-12-8-9-13-21(20)25-23(30)28-16-14-27(15-17-28)18-22(29)26(4)19-10-6-5-7-11-19/h5-13H,14-18H2,1-4H3,(H,25,30)
InChIKeyFRHMJXDPUJSPJT-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.80
Rot. Bonds4

About N-(2-tert-butylphenyl)-4-[2-(N-methylanilino)-2-oxoethyl]piperazine-1-carboxamide

N-(2-tert-butylphenyl)-4-[2-(N-methylanilino)-2-oxoethyl]piperazine-1-carboxamide (PubChem CID 3849424) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-4-[2-(N-methylanilino)-2-oxoethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-4-[2-(N-methylanilino)-2-oxoethyl]piperazine-1-carboxamide
PubChem CID3849424
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-(2-tert-butylphenyl)-4-[2-(N-methylanilino)-2-oxoethyl]piperazine-1-carboxamide
SMILESCN(C(=O)CN1CCN(C(=O)Nc2ccccc2C(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C24H32N4O2/c1-24(2,3)20-12-8-9-13-21(20)25-23(30)28-16-14-27(15-17-28)18-22(29)26(4)19-10-6-5-7-11-19/h5-13H,14-18H2,1-4H3,(H,25,30)
InChIKeyFRHMJXDPUJSPJT-UHFFFAOYSA-N
XLogP3.80
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-tert-butylphenyl)-4-[2-(N-methylanilino)-2-oxoethyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-tert-butylphenyl)-4-propylpiperazine-1-carboxamide
CID 113103174
N-(2-tert-butylphenyl)-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108670
N-(2-tert-butylphenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108148
ethyl 4-[[4-[2-(N-methylanilino)-2-oxoethyl]piperazine-1-carbonyl]amino]benzoate
CID 3797605
4-benzyl-N-(2-tert-butylphenyl)piperidine-1-carboxamide
CID 3455496
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 44768291
2-[4-[(2-ethoxyphenyl)carbamothioyl]piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 3738607
3-[4-[2-(N-methylanilino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 134069440
N-(2-tert-butylphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108990373
4-[2-(dimethylamino)-2-oxoethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide
CID 119059167
N-(2-tert-butylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 3790965
N-(2-tert-butylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113112648

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-4-[2-(N-methylanilino)-2-oxoethyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-4-[2-(N-methylanilino)-2-oxoethyl]piperazine-1-carboxamide (CID 3849424) is N-(2-tert-butylphenyl)-4-[2-(N-methylanilino)-2-oxoethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-4-[2-(N-methylanilino)-2-oxoethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-4-[2-(N-methylanilino)-2-oxoethyl]piperazine-1-carboxamide is CN(C(=O)CN1CCN(C(=O)Nc2ccccc2C(C)(C)C)CC1)c1ccccc1.
What is the InChIKey of N-(2-tert-butylphenyl)-4-[2-(N-methylanilino)-2-oxoethyl]piperazine-1-carboxamide?
The InChIKey is FRHMJXDPUJSPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-24(2,3)20-12-8-9-13-21(20)25-23(30)28-16-14-27(15-17-28)18-22(29)26(4)19-10-6-5-7-11-19/h5-13H,14-18H2,1-4H3,(H,25,30).
What are the key properties of N-(2-tert-butylphenyl)-4-[2-(N-methylanilino)-2-oxoethyl]piperazine-1-carboxamide?
N-(2-tert-butylphenyl)-4-[2-(N-methylanilino)-2-oxoethyl]piperazine-1-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-4-[2-(N-methylanilino)-2-oxoethyl]piperazine-1-carboxamide is sourced from PubChem (CID 3849424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).