N-[2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide

C18H35N3O3 — CID 121263348

IUPACN-[2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide
SMILESCCC(=O)N(CCC(C)C)CC(=O)NCC(=O)NCCC(C)(C)C
InChIInChI=1S/C18H35N3O3/c1-7-17(24)21(11-8-14(2)3)13-16(23)20-12-15(22)19-10-9-18(4,5)6/h14H,7-13H2,1-6H3,(H,19,22)(H,20,23)
InChIKeyCSUNOOGVZYSKQQ-UHFFFAOYSA-N
MW341.50 g/mol
LogP1.94
Rot. Bonds10

About N-[2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide

N-[2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide (PubChem CID 121263348) has the molecular formula C18H35N3O3 and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound NameN-[2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide
PubChem CID121263348
Molecular FormulaC18H35N3O3
Molecular Weight341.50 g/mol
Exact Mass341.27
IUPAC NameN-[2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide
SMILESCCC(=O)N(CCC(C)C)CC(=O)NCC(=O)NCCC(C)(C)C
InChIInChI=1S/C18H35N3O3/c1-7-17(24)21(11-8-14(2)3)13-16(23)20-12-15(22)19-10-9-18(4,5)6/h14H,7-13H2,1-6H3,(H,19,22)(H,20,23)
InChIKeyCSUNOOGVZYSKQQ-UHFFFAOYSA-N
XLogP1.94
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-propylpropanamide
CID 121263921
N-[2-(3,3-dimethylbutylamino)-2-oxoethyl]-6-methyl-N-(3-methylbutyl)-5-oxoheptanamide
CID 121263449
2-[butyl(3-methylbutyl)amino]-N-(3,3-dimethylbutyl)acetamide
CID 121265189
2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 119913153
2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide
CID 113166468
4,4-dimethyl-N-(3-methylbutyl)pentanamide
CID 135139773
3-methyl-N-[2-[3-methylbutanoyl(3-methylbutyl)amino]ethyl]butanamide
CID 176987317
2-[bis(3-methylbutyl)amino]-N-(2-hydroxyethyl)acetamide
CID 107870710
2-(2,2-dimethylpropylamino)-N-(3-methylbutyl)acetamide
CID 61486851
N-[2-(methylamino)ethyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 169065890
N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide
CID 147929425
N-(3,3-dimethylbutyl)butanamide
CID 115580246

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide?
The IUPAC name of N-[2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide (CID 121263348) is N-[2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for N-[2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide?
The canonical SMILES for N-[2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide is CCC(=O)N(CCC(C)C)CC(=O)NCC(=O)NCCC(C)(C)C.
What is the InChIKey of N-[2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide?
The InChIKey is CSUNOOGVZYSKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O3/c1-7-17(24)21(11-8-14(2)3)13-16(23)20-12-15(22)19-10-9-18(4,5)6/h14H,7-13H2,1-6H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide?
N-[2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide has a molecular weight of 341.50 g/mol, XLogP of 1.94, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]amino]-2-oxoethyl]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 121263348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).