N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]-N-methylacetamide

C23H44N6O4 — CID 55627416

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]-N-methylacetamide
SMILESCC1CN(CC(=O)N(C)CC(=O)NC(C)(C)C)CCN1CC(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C23H44N6O4/c1-17-12-28(15-20(32)26(8)13-18(30)24-22(2,3)4)10-11-29(17)16-21(33)27(9)14-19(31)25-23(5,6)7/h17H,10-16H2,1-9H3,(H,24,30)(H,25,31)
InChIKeyFJQIQBPOUQTEPE-UHFFFAOYSA-N
MW468.64 g/mol
LogP-0.26
Rot. Bonds8

About N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]-N-methylacetamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]-N-methylacetamide (PubChem CID 55627416) has the molecular formula C23H44N6O4 and a molecular weight of 468.64 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]-N-methylacetamide
PubChem CID55627416
Molecular FormulaC23H44N6O4
Molecular Weight468.64 g/mol
Exact Mass468.34
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]-N-methylacetamide
SMILESCC1CN(CC(=O)N(C)CC(=O)NC(C)(C)C)CCN1CC(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C23H44N6O4/c1-17-12-28(15-20(32)26(8)13-18(30)24-22(2,3)4)10-11-29(17)16-21(33)27(9)14-19(31)25-23(5,6)7/h17H,10-16H2,1-9H3,(H,24,30)(H,25,31)
InChIKeyFJQIQBPOUQTEPE-UHFFFAOYSA-N
XLogP-0.26
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.64
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]-N-methylacetamide 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

2-(4-acetyl-1,4-diazepan-1-yl)-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide
CID 27133312
N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 9130798
2-[4-(aminomethyl)-2-methylpiperazin-1-yl]-N,N-dimethylacetamide
CID 139421592
2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide
CID 55410550
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 60951663
N-tert-butyl-2-[(3R,5S)-4-[2-(tert-butylamino)-2-oxoethyl]-3,5-dimethylpiperazin-1-yl]acetamide
CID 99786847
N-cyclopropyl-2-[4-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperazin-1-yl]acetamide
CID 78860681
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide
CID 60717641
1-(4-ethyl-3-methylpiperazin-1-yl)-3,3-dimethylbutan-2-one
CID 63609263
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-[(3R)-3-methylpiperidin-1-yl]-2-oxoacetamide
CID 99785323
N-[2-(tert-butylamino)-2-oxoethyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119691966
methyl 5-methyl-4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 154447183

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]-N-methylacetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]-N-methylacetamide (CID 55627416) is N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]-N-methylacetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]-N-methylacetamide is CC1CN(CC(=O)N(C)CC(=O)NC(C)(C)C)CCN1CC(=O)N(C)CC(=O)NC(C)(C)C.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]-N-methylacetamide?
The InChIKey is FJQIQBPOUQTEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N6O4/c1-17-12-28(15-20(32)26(8)13-18(30)24-22(2,3)4)10-11-29(17)16-21(33)27(9)14-19(31)25-23(5,6)7/h17H,10-16H2,1-9H3,(H,24,30)(H,25,31).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]-N-methylacetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]-N-methylacetamide has a molecular weight of 468.64 g/mol, XLogP of -0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-[4-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 55627416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).