N-(2-methylbutan-2-yl)-2-(3-methylbutylamino)propanamide

C13H28N2O — CID 43112990

IUPACN-(2-methylbutan-2-yl)-2-(3-methylbutylamino)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCCC(C)C
InChIInChI=1S/C13H28N2O/c1-7-13(5,6)15-12(16)11(4)14-9-8-10(2)3/h10-11,14H,7-9H2,1-6H3,(H,15,16)
InChIKeyAFHFSYOKSGMXQH-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.32
Rot. Bonds7

About N-(2-methylbutan-2-yl)-2-(3-methylbutylamino)propanamide

N-(2-methylbutan-2-yl)-2-(3-methylbutylamino)propanamide (PubChem CID 43112990) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(3-methylbutylamino)propanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(3-methylbutylamino)propanamide
PubChem CID43112990
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(2-methylbutan-2-yl)-2-(3-methylbutylamino)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCCC(C)C
InChIInChI=1S/C13H28N2O/c1-7-13(5,6)15-12(16)11(4)14-9-8-10(2)3/h10-11,14H,7-9H2,1-6H3,(H,15,16)
InChIKeyAFHFSYOKSGMXQH-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-methylbutanamide
CID 11748635
(3S,6S)-3,6-Diisopropylpiperazine-2,5-dione
CID 7075896
(2R)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-3-methylbutanamide
CID 9839352
N-(Carbamoylmethyl)-2-acetamido-3-methylbutanamide
CID 644829
Cyclo-L-Val-L-Val
CID 637596
US8722896, N-[(2S)-2-Aminopropanoyl]-(2S)-valylamide
CID 58080388
Butyramide, 2-(diethylamino)-N-tert-pentyl-, hydrochloride
CID 60271
3-methyl-N-{2-[(3-methylbutanoyl)amino]propyl}butanamide
CID 2931090
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide
CID 10612186
L-alanyl-L-valinamide
CID 7019981
(2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
CID 10537384
(2S)-2-amino-N-hexyl-3-methylbutanamide
CID 53855464

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(3-methylbutylamino)propanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(3-methylbutylamino)propanamide (CID 43112990) is N-(2-methylbutan-2-yl)-2-(3-methylbutylamino)propanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(3-methylbutylamino)propanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(3-methylbutylamino)propanamide is CCC(C)(C)NC(=O)C(C)NCCC(C)C.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(3-methylbutylamino)propanamide?
The InChIKey is AFHFSYOKSGMXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-7-13(5,6)15-12(16)11(4)14-9-8-10(2)3/h10-11,14H,7-9H2,1-6H3,(H,15,16).
What are the key properties of N-(2-methylbutan-2-yl)-2-(3-methylbutylamino)propanamide?
N-(2-methylbutan-2-yl)-2-(3-methylbutylamino)propanamide has a molecular weight of 228.38 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(3-methylbutylamino)propanamide is sourced from PubChem (CID 43112990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).