N-tert-butyl-2-[4-[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]piperazin-1-yl]acetamide

C24H40N4O2 — CID 8992613

IUPACN-tert-butyl-2-[4-[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]piperazin-1-yl]acetamide
SMILESCCc1ccc([C@@H](NCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C(C)C)cc1
InChIInChI=1S/C24H40N4O2/c1-7-19-8-10-20(11-9-19)23(18(2)3)25-16-22(30)28-14-12-27(13-15-28)17-21(29)26-24(4,5)6/h8-11,18,23,25H,7,12-17H2,1-6H3,(H,26,29)/t23-/m0/s1
InChIKeyKHCGKKHKRCFQEL-QHCPKHFHSA-N
MW416.61 g/mol
LogP2.59
Rot. Bonds8

About N-tert-butyl-2-[4-[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]piperazin-1-yl]acetamide

N-tert-butyl-2-[4-[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]piperazin-1-yl]acetamide (PubChem CID 8992613) has the molecular formula C24H40N4O2 and a molecular weight of 416.61 g/mol. Its IUPAC name is N-tert-butyl-2-[4-[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]piperazin-1-yl]acetamide
PubChem CID8992613
Molecular FormulaC24H40N4O2
Molecular Weight416.61 g/mol
Exact Mass416.32
IUPAC NameN-tert-butyl-2-[4-[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]piperazin-1-yl]acetamide
SMILESCCc1ccc([C@@H](NCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C(C)C)cc1
InChIInChI=1S/C24H40N4O2/c1-7-19-8-10-20(11-9-19)23(18(2)3)25-16-22(30)28-14-12-27(13-15-28)17-21(29)26-24(4,5)6/h8-11,18,23,25H,7,12-17H2,1-6H3,(H,26,29)/t23-/m0/s1
InChIKeyKHCGKKHKRCFQEL-QHCPKHFHSA-N
XLogP2.59
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]acetyl]piperazin-1-yl]-N-methylacetamide
CID 8834464
4-[2-(tert-butylamino)-2-oxoethyl]-N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]piperazine-1-carboxamide
CID 51929849
N-(4-ethylphenyl)-2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]acetamide
CID 177160364
2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethylphenyl)propanamide
CID 17446120
1-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 78898918
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 46667361
[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium
CID 8992612
2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-1-morpholin-4-ylethanone
CID 78818405
N-butan-2-yl-2-[4-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 86923605
2-[4-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8636098
2-[4-[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 8636105

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]piperazin-1-yl]acetamide (CID 8992613) is N-tert-butyl-2-[4-[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]piperazin-1-yl]acetamide is CCc1ccc([C@@H](NCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[4-[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]piperazin-1-yl]acetamide?
The InChIKey is KHCGKKHKRCFQEL-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H40N4O2/c1-7-19-8-10-20(11-9-19)23(18(2)3)25-16-22(30)28-14-12-27(13-15-28)17-21(29)26-24(4,5)6/h8-11,18,23,25H,7,12-17H2,1-6H3,(H,26,29)/t23-/m0/s1.
What are the key properties of N-tert-butyl-2-[4-[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]piperazin-1-yl]acetamide?
N-tert-butyl-2-[4-[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]piperazin-1-yl]acetamide has a molecular weight of 416.61 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-[2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8992613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).