N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide

C13H28N2O — CID 43116529

IUPACN-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NC(C)(C)CC
InChIInChI=1S/C13H28N2O/c1-8-12(4,5)14-10(3)11(16)15-13(6,7)9-2/h10,14H,8-9H2,1-7H3,(H,15,16)
InChIKeyVPDNICDBDSRECI-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.46
Rot. Bonds6

About N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide

N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide (PubChem CID 43116529) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide
PubChem CID43116529
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NC(C)(C)CC
InChIInChI=1S/C13H28N2O/c1-8-12(4,5)14-10(3)11(16)15-13(6,7)9-2/h10,14H,8-9H2,1-7H3,(H,15,16)
InChIKeyVPDNICDBDSRECI-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 644829
US8722896, N-[(2S)-2-Aminopropanoyl]-(2S)-valylamide
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Butyramide, 2-(diethylamino)-N-tert-pentyl-, hydrochloride
CID 60271
N,N'-1,2-propanediylbis(2,2-dimethylpropanamide)
CID 2932311
L-Alanyl-L-Alanyl-L-Alanyl-L-Alaninamide
CID 5496808
L-alanyl-L-valinamide
CID 7019981
(2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
CID 10537384
2-amino-N-(2-methylpropyl)propanamide
CID 13750005
Acetamide, 2-(diethylamino)-N-(1-ethyl-1-methylpropyl)-, hydrochloride
CID 60235
Acetamide, 2-(diethylamino)-N-tert-pentyl-, hydrochloride
CID 60313
Acetamide, N-tert-butyl-2-(diethylamino)-, hydrochloride
CID 60441
2-amino-N-(2,2-dimethylpropyl)-2-methylpropanamide
CID 61265060

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide (CID 43116529) is N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide is CCC(C)(C)NC(=O)C(C)NC(C)(C)CC.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide?
The InChIKey is VPDNICDBDSRECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-8-12(4,5)14-10(3)11(16)15-13(6,7)9-2/h10,14H,8-9H2,1-7H3,(H,15,16).
What are the key properties of N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide?
N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide has a molecular weight of 228.38 g/mol, XLogP of 2.46, 6 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-(2-methylbutan-2-ylamino)propanamide is sourced from PubChem (CID 43116529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).