2,2-dimethyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide

C11H21N3O3 — CID 43054474

IUPAC2,2-dimethyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide
SMILESCNC(=O)CNC(=O)C(C)NC(=O)C(C)(C)C
InChIInChI=1S/C11H21N3O3/c1-7(14-10(17)11(2,3)4)9(16)13-6-8(15)12-5/h7H,6H2,1-5H3,(H,12,15)(H,13,16)(H,14,17)
InChIKeyCQRWLNJHABYUMS-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.60
Rot. Bonds4

About 2,2-dimethyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide

2,2-dimethyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide (PubChem CID 43054474) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide
PubChem CID43054474
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2,2-dimethyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide
SMILESCNC(=O)CNC(=O)C(C)NC(=O)C(C)(C)C
InChIInChI=1S/C11H21N3O3/c1-7(14-10(17)11(2,3)4)9(16)13-6-8(15)12-5/h7H,6H2,1-5H3,(H,12,15)(H,13,16)(H,14,17)
InChIKeyCQRWLNJHABYUMS-UHFFFAOYSA-N
XLogP-0.60
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2-dimethylpropanoic acid
CID 81369309
N-[1-[(2-hydroxy-2,3-dimethylbutyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 111484536
N-[1-(4-hydroxybutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 106843633
N-[1-(5-hydroxypentylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 107319030
N-[1-(3-aminobutylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 119498705
N-[1-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 109380616
benzyl 2-[[(2R)-2-(2,2-dimethylpropanoylamino)propanoyl]amino]acetate
CID 30396801
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 54209319
(2R)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-(propanoylamino)propanamide
CID 142118598
2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 62639289
N-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 25474927
2,2-dimethyl-N-[(2S)-3-oxopentan-2-yl]propanamide
CID 126726603

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide (CID 43054474) is 2,2-dimethyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide is CNC(=O)CNC(=O)C(C)NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide?
The InChIKey is CQRWLNJHABYUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-7(14-10(17)11(2,3)4)9(16)13-6-8(15)12-5/h7H,6H2,1-5H3,(H,12,15)(H,13,16)(H,14,17).
What are the key properties of 2,2-dimethyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide?
2,2-dimethyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide has a molecular weight of 243.31 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 43054474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).