4-[2-(tert-butylamino)-2-oxoethyl]-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]piperazine-1-carboxamide

C24H40N4O2 — CID 51929849

IUPAC4-[2-(tert-butylamino)-2-oxoethyl]-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]piperazine-1-carboxamide
SMILESCC(C)c1ccc([C@@H](NC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C(C)C)cc1
InChIInChI=1S/C24H40N4O2/c1-17(2)19-8-10-20(11-9-19)22(18(3)4)25-23(30)28-14-12-27(13-15-28)16-21(29)26-24(5,6)7/h8-11,17-18,22H,12-16H2,1-7H3,(H,25,30)(H,26,29)/t22-/m0/s1
InChIKeyVXUSQHTVXWSSQX-QFIPXVFZSA-N
MW416.61 g/mol
LogP3.75
Rot. Bonds6

About 4-[2-(tert-butylamino)-2-oxoethyl]-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]piperazine-1-carboxamide

4-[2-(tert-butylamino)-2-oxoethyl]-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]piperazine-1-carboxamide (PubChem CID 51929849) has the molecular formula C24H40N4O2 and a molecular weight of 416.61 g/mol. Its IUPAC name is 4-[2-(tert-butylamino)-2-oxoethyl]-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(tert-butylamino)-2-oxoethyl]-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]piperazine-1-carboxamide
PubChem CID51929849
Molecular FormulaC24H40N4O2
Molecular Weight416.61 g/mol
Exact Mass416.32
IUPAC Name4-[2-(tert-butylamino)-2-oxoethyl]-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]piperazine-1-carboxamide
SMILESCC(C)c1ccc([C@@H](NC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C(C)C)cc1
InChIInChI=1S/C24H40N4O2/c1-17(2)19-8-10-20(11-9-19)22(18(3)4)25-23(30)28-14-12-27(13-15-28)16-21(29)26-24(5,6)7/h8-11,17-18,22H,12-16H2,1-7H3,(H,25,30)(H,26,29)/t22-/m0/s1
InChIKeyVXUSQHTVXWSSQX-QFIPXVFZSA-N
XLogP3.75
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)-2-methylpropyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
CID 24612951
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 46667361
2-(4-methylpiperazin-1-yl)-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 29230660
N-tert-butyl-2-[4-[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]piperazin-1-yl]acetamide
CID 8992613
N-methyl-2-[4-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]piperazin-1-yl]acetamide
CID 8923687
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 9131399
N-[1-(4-tert-butylphenyl)-2-methylpropyl]azetidine-1-carboxamide
CID 71900527
3-(hydroxymethyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyrrolidine-1-carboxamide
CID 111443553
N-(2,3-dimethylphenyl)-2-[4-[2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30738634
N-tert-butyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110405
ethyl 4-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 46665939
N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide
CID 8710475

Frequently Asked Questions

What is the IUPAC name of 4-[2-(tert-butylamino)-2-oxoethyl]-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-(tert-butylamino)-2-oxoethyl]-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]piperazine-1-carboxamide (CID 51929849) is 4-[2-(tert-butylamino)-2-oxoethyl]-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(tert-butylamino)-2-oxoethyl]-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(tert-butylamino)-2-oxoethyl]-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]piperazine-1-carboxamide is CC(C)c1ccc([C@@H](NC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C(C)C)cc1.
What is the InChIKey of 4-[2-(tert-butylamino)-2-oxoethyl]-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]piperazine-1-carboxamide?
The InChIKey is VXUSQHTVXWSSQX-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H40N4O2/c1-17(2)19-8-10-20(11-9-19)22(18(3)4)25-23(30)28-14-12-27(13-15-28)16-21(29)26-24(5,6)7/h8-11,17-18,22H,12-16H2,1-7H3,(H,25,30)(H,26,29)/t22-/m0/s1.
What are the key properties of 4-[2-(tert-butylamino)-2-oxoethyl]-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]piperazine-1-carboxamide?
4-[2-(tert-butylamino)-2-oxoethyl]-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]piperazine-1-carboxamide has a molecular weight of 416.61 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(tert-butylamino)-2-oxoethyl]-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 51929849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).