4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-[2-[[2-[[2-[(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide;toluene

C31H52N4O6 — CID 176986720

IUPAC4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-[2-[[2-[[2-[(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide;toluene
SMILESCC(C)CC(C)(C)OCCC(C)(C)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)C(C)C.Cc1ccccc1
InChIInChI=1S/C24H44N4O6.C7H8/c1-16(2)11-24(7,8)34-10-9-23(5,6)22(33)28-15-21(32)27-14-20(31)26-13-19(30)25-12-18(29)17(3)4;1-7-5-3-2-4-6-7/h16-17H,9-15H2,1-8H3,(H,25,30)(H,26,31)(H,27,32)(H,28,33);2-6H,1H3
InChIKeyRUGAHJNWJSWQSC-UHFFFAOYSA-N
MW576.78 g/mol
LogP2.93
Rot. Bonds16

About 4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-[2-[[2-[[2-[(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide;toluene

4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-[2-[[2-[[2-[(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide;toluene (PubChem CID 176986720) has the molecular formula C31H52N4O6 and a molecular weight of 576.78 g/mol. Its IUPAC name is 4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-[2-[[2-[[2-[(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide;toluene.

Molecular Properties

Compound Name4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-[2-[[2-[[2-[(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide;toluene
PubChem CID176986720
Molecular FormulaC31H52N4O6
Molecular Weight576.78 g/mol
Exact Mass576.39
IUPAC Name4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-[2-[[2-[[2-[(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide;toluene
SMILESCC(C)CC(C)(C)OCCC(C)(C)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)C(C)C.Cc1ccccc1
InChIInChI=1S/C24H44N4O6.C7H8/c1-16(2)11-24(7,8)34-10-9-23(5,6)22(33)28-15-21(32)27-14-20(31)26-13-19(30)25-12-18(29)17(3)4;1-7-5-3-2-4-6-7/h16-17H,9-15H2,1-8H3,(H,25,30)(H,26,31)(H,27,32)(H,28,33);2-6H,1H3
InChIKeyRUGAHJNWJSWQSC-UHFFFAOYSA-N
XLogP2.93
TPSA142.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.78
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-[2-[[2-[[2-[(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide;toluene with MolForge

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Related Compounds

3-methyl-1-(methylamino)butan-2-one;toluene
CID 142538750
4-(2,5-dimethyl-4-oxohexan-2-yl)oxy-2,2-dimethyl-N-pentylbutanamide;methanol
CID 168959673
2-(3-amino-3-methylbutoxy)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-methylpropanamide
CID 167045313
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 2926086
[(1S)-2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 41020663
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289
2-phenyl-N-(2,2,4-trimethylpentyl)acetamide
CID 165399012
N-[2-(benzylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36895898
2,2-dimethyl-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
CID 43021745
2,4-dimethylpentan-3-one;toluene
CID 68919843
2-[[2-(2,2-dimethylbutanoylamino)acetyl]amino]acetic acid
CID 62677817
2,2-dimethyl-N-[2-[2-(2-methylphenoxy)propylamino]-2-oxoethyl]propanamide
CID 71998406

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-[2-[[2-[[2-[(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide;toluene?
The IUPAC name of 4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-[2-[[2-[[2-[(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide;toluene (CID 176986720) is 4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-[2-[[2-[[2-[(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide;toluene.
What is the SMILES notation for 4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-[2-[[2-[[2-[(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide;toluene?
The canonical SMILES for 4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-[2-[[2-[[2-[(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide;toluene is CC(C)CC(C)(C)OCCC(C)(C)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)C(C)C.Cc1ccccc1.
What is the InChIKey of 4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-[2-[[2-[[2-[(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide;toluene?
The InChIKey is RUGAHJNWJSWQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N4O6.C7H8/c1-16(2)11-24(7,8)34-10-9-23(5,6)22(33)28-15-21(32)27-14-20(31)26-13-19(30)25-12-18(29)17(3)4;1-7-5-3-2-4-6-7/h16-17H,9-15H2,1-8H3,(H,25,30)(H,26,31)(H,27,32)(H,28,33);2-6H,1H3.
What are the key properties of 4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-[2-[[2-[[2-[(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide;toluene?
4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-[2-[[2-[[2-[(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide;toluene has a molecular weight of 576.78 g/mol, XLogP of 2.93, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylpentan-2-yloxy)-2,2-dimethyl-N-[2-[[2-[[2-[(3-methyl-2-oxobutyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]butanamide;toluene is sourced from PubChem (CID 176986720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).