2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-N-(2-methylbutan-2-yl)propanamide

C13H27N3O2 — CID 54950380

IUPAC2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NC(C)C(=O)N(C)C
InChIInChI=1S/C13H27N3O2/c1-8-13(4,5)15-11(17)9(2)14-10(3)12(18)16(6)7/h9-10,14H,8H2,1-7H3,(H,15,17)
InChIKeyXAHRMGJDGTVDHU-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.75
Rot. Bonds6

About 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-N-(2-methylbutan-2-yl)propanamide

2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 54950380) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-N-(2-methylbutan-2-yl)propanamide
PubChem CID54950380
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NC(C)C(=O)N(C)C
InChIInChI=1S/C13H27N3O2/c1-8-13(4,5)15-11(17)9(2)14-10(3)12(18)16(6)7/h9-10,14H,8H2,1-7H3,(H,15,17)
InChIKeyXAHRMGJDGTVDHU-UHFFFAOYSA-N
XLogP0.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxybutan-2-ylamino)-N-(2-methylbutan-2-yl)propanamide
CID 83176935
N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide
CID 43116529
2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-N-propylpropanamide
CID 60677309
2-(ethylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43112409
2-[2-(dimethylamino)ethylamino]-N-(2-methylbutan-2-yl)propanamide
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2-[5-(diethylamino)pentan-2-ylamino]-N-(2-methylbutan-2-yl)propanamide
CID 43113172
N-(2-methylbutan-2-yl)-2-(1-phenylethylamino)propanamide
CID 43113751
2-(1-cyclopropylbutan-2-ylamino)-N-(2-methylbutan-2-yl)propanamide
CID 63995136
N-(2-methylbutan-2-yl)-2-(3-methylbutylamino)propanamide
CID 43112990
2-[[2-(diethylamino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)propanamide
CID 112687061
N-(2-methylbutan-2-yl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide
CID 81406486
2-[(3-hydroxy-3-methylbutan-2-yl)amino]-N,N-dimethylpropanamide
CID 65337485

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-N-(2-methylbutan-2-yl)propanamide (CID 54950380) is 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)NC(C)C(=O)N(C)C.
What is the InChIKey of 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is XAHRMGJDGTVDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-8-13(4,5)15-11(17)9(2)14-10(3)12(18)16(6)7/h9-10,14H,8H2,1-7H3,(H,15,17).
What are the key properties of 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-N-(2-methylbutan-2-yl)propanamide?
2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 257.38 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 54950380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).