N-tert-butyl-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide

C21H34N4O2 — CID 8768478

IUPACN-tert-butyl-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide
SMILESCc1ccccc1CN1CCN(C(=O)CN(C)CC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C21H34N4O2/c1-17-8-6-7-9-18(17)14-24-10-12-25(13-11-24)20(27)16-23(5)15-19(26)22-21(2,3)4/h6-9H,10-16H2,1-5H3,(H,22,26)
InChIKeyNZQNWUULKLLABK-UHFFFAOYSA-N
MW374.53 g/mol
LogP1.49
Rot. Bonds6

About N-tert-butyl-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide

N-tert-butyl-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide (PubChem CID 8768478) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide
PubChem CID8768478
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC NameN-tert-butyl-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide
SMILESCc1ccccc1CN1CCN(C(=O)CN(C)CC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C21H34N4O2/c1-17-8-6-7-9-18(17)14-24-10-12-25(13-11-24)20(27)16-23(5)15-19(26)22-21(2,3)4/h6-9H,10-16H2,1-5H3,(H,22,26)
InChIKeyNZQNWUULKLLABK-UHFFFAOYSA-N
XLogP1.49
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(2-methylphenyl)methyl]amino]-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 55410001
N-(2-chlorophenyl)-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide
CID 8843504
N-(2,6-dimethylphenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide
CID 8793749
2-[2-hydroxyethyl(methyl)amino]-1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 110899232
2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 120703329
N-tert-butyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54904322
N-(2,6-dichlorophenyl)-2-[[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-methylamino]acetamide
CID 25487251
N-(2-methylbutan-2-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8596502
1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]ethanone
CID 55494144
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
4-[1-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]ethyl]benzenesulfonamide
CID 55409136
2-[[(2S)-butan-2-yl]-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]amino]acetic acid
CID 124683757

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide (CID 8768478) is N-tert-butyl-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide is Cc1ccccc1CN1CCN(C(=O)CN(C)CC(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide?
The InChIKey is NZQNWUULKLLABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-17-8-6-7-9-18(17)14-24-10-12-25(13-11-24)20(27)16-23(5)15-19(26)22-21(2,3)4/h6-9H,10-16H2,1-5H3,(H,22,26).
What are the key properties of N-tert-butyl-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide?
N-tert-butyl-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide has a molecular weight of 374.53 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 8768478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).