2-[2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]ethyl-[2-(1-methylsulfanylethylamino)-2-oxoethyl]amino]-N-propan-2-ylacetamide

C24H48N6O4S — CID 130268507

IUPAC2-[2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]ethyl-[2-(1-methylsulfanylethylamino)-2-oxoethyl]amino]-N-propan-2-ylacetamide
SMILESCSC(C)NC(=O)CN(CCN(CC(=O)NC(C)(C)C)CC(=O)NC(C)(C)C)CC(=O)NC(C)C
InChIInChI=1S/C24H48N6O4S/c1-17(2)25-19(31)13-29(14-20(32)26-18(3)35-10)11-12-30(15-21(33)27-23(4,5)6)16-22(34)28-24(7,8)9/h17-18H,11-16H2,1-10H3,(H,25,31)(H,26,32)(H,27,33)(H,28,34)
InChIKeyXUQHJYPSKPDXNN-UHFFFAOYSA-N
MW516.75 g/mol
LogP0.77
Rot. Bonds14

About 2-[2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]ethyl-[2-(1-methylsulfanylethylamino)-2-oxoethyl]amino]-N-propan-2-ylacetamide

2-[2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]ethyl-[2-(1-methylsulfanylethylamino)-2-oxoethyl]amino]-N-propan-2-ylacetamide (PubChem CID 130268507) has the molecular formula C24H48N6O4S and a molecular weight of 516.75 g/mol. Its IUPAC name is 2-[2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]ethyl-[2-(1-methylsulfanylethylamino)-2-oxoethyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]ethyl-[2-(1-methylsulfanylethylamino)-2-oxoethyl]amino]-N-propan-2-ylacetamide
PubChem CID130268507
Molecular FormulaC24H48N6O4S
Molecular Weight516.75 g/mol
Exact Mass516.35
IUPAC Name2-[2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]ethyl-[2-(1-methylsulfanylethylamino)-2-oxoethyl]amino]-N-propan-2-ylacetamide
SMILESCSC(C)NC(=O)CN(CCN(CC(=O)NC(C)(C)C)CC(=O)NC(C)(C)C)CC(=O)NC(C)C
InChIInChI=1S/C24H48N6O4S/c1-17(2)25-19(31)13-29(14-20(32)26-18(3)35-10)11-12-30(15-21(33)27-23(4,5)6)16-22(34)28-24(7,8)9/h17-18H,11-16H2,1-10H3,(H,25,31)(H,26,32)(H,27,33)(H,28,34)
InChIKeyXUQHJYPSKPDXNN-UHFFFAOYSA-N
XLogP0.77
TPSA122.88 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.75
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 86908596
methyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate
CID 134845181
N-tert-butyl-2-(diethylamino)acetamide;hydrochloride
CID 138397018
N'-tert-butyl-N-propan-2-ylundecanediamide
CID 161329550
N-tert-butyl-2-[2-cyanoethyl(2-methylpropyl)amino]acetamide
CID 54940342
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide
CID 8795783
2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 8794225
N-tert-butyl-3-(diethylamino)propanamide
CID 109030701
2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide
CID 81490277
(2R)-N-[2-(tert-butylamino)-2-oxoethyl]-2-chloro-N-methylpropanamide
CID 93317901
2-bromo-N,2-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 114328087
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-4-methylpentanamide
CID 78790706

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]ethyl-[2-(1-methylsulfanylethylamino)-2-oxoethyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]ethyl-[2-(1-methylsulfanylethylamino)-2-oxoethyl]amino]-N-propan-2-ylacetamide (CID 130268507) is 2-[2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]ethyl-[2-(1-methylsulfanylethylamino)-2-oxoethyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]ethyl-[2-(1-methylsulfanylethylamino)-2-oxoethyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]ethyl-[2-(1-methylsulfanylethylamino)-2-oxoethyl]amino]-N-propan-2-ylacetamide is CSC(C)NC(=O)CN(CCN(CC(=O)NC(C)(C)C)CC(=O)NC(C)(C)C)CC(=O)NC(C)C.
What is the InChIKey of 2-[2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]ethyl-[2-(1-methylsulfanylethylamino)-2-oxoethyl]amino]-N-propan-2-ylacetamide?
The InChIKey is XUQHJYPSKPDXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N6O4S/c1-17(2)25-19(31)13-29(14-20(32)26-18(3)35-10)11-12-30(15-21(33)27-23(4,5)6)16-22(34)28-24(7,8)9/h17-18H,11-16H2,1-10H3,(H,25,31)(H,26,32)(H,27,33)(H,28,34).
What are the key properties of 2-[2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]ethyl-[2-(1-methylsulfanylethylamino)-2-oxoethyl]amino]-N-propan-2-ylacetamide?
2-[2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]ethyl-[2-(1-methylsulfanylethylamino)-2-oxoethyl]amino]-N-propan-2-ylacetamide has a molecular weight of 516.75 g/mol, XLogP of 0.77, 14 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]ethyl-[2-(1-methylsulfanylethylamino)-2-oxoethyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 130268507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).