N-(2-methylbutan-2-yl)-2-(3-methylbut-2-enylamino)propanamide

C13H26N2O — CID 103520478

IUPACN-(2-methylbutan-2-yl)-2-(3-methylbut-2-enylamino)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCC=C(C)C
InChIInChI=1S/C13H26N2O/c1-7-13(5,6)15-12(16)11(4)14-9-8-10(2)3/h8,11,14H,7,9H2,1-6H3,(H,15,16)
InChIKeyKOZWRRVHFJMNMC-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.24
Rot. Bonds6

About N-(2-methylbutan-2-yl)-2-(3-methylbut-2-enylamino)propanamide

N-(2-methylbutan-2-yl)-2-(3-methylbut-2-enylamino)propanamide (PubChem CID 103520478) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(3-methylbut-2-enylamino)propanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(3-methylbut-2-enylamino)propanamide
PubChem CID103520478
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2-methylbutan-2-yl)-2-(3-methylbut-2-enylamino)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCC=C(C)C
InChIInChI=1S/C13H26N2O/c1-7-13(5,6)15-12(16)11(4)14-9-8-10(2)3/h8,11,14H,7,9H2,1-6H3,(H,15,16)
InChIKeyKOZWRRVHFJMNMC-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43112409
N-(2-methylbutan-2-yl)-2-(3-methylbutylamino)propanamide
CID 43112990
N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide
CID 43116529
N-carbamoyl-2-(3-methylbut-2-enylamino)propanamide
CID 103520475
2-(3-hydroxypropylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43416442
N-(2-methylbutan-2-yl)-2-(pentylamino)propanamide
CID 43112752
N-(2-methylbutan-2-yl)-2-(3,3,3-trifluoropropylamino)propanamide
CID 55173400
2-[2-(dimethylamino)ethylamino]-N-(2-methylbutan-2-yl)propanamide
CID 43112399
2-(3-methylbut-2-enylamino)-N-(3-methylbutyl)propanamide
CID 103520462
N-(2-methylbutan-2-yl)-2-(2-methylsulfinylpropylamino)propanamide
CID 113484086
2-[[2-(diethylamino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)propanamide
CID 112687061
2-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 107152268

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(3-methylbut-2-enylamino)propanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(3-methylbut-2-enylamino)propanamide (CID 103520478) is N-(2-methylbutan-2-yl)-2-(3-methylbut-2-enylamino)propanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(3-methylbut-2-enylamino)propanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(3-methylbut-2-enylamino)propanamide is CCC(C)(C)NC(=O)C(C)NCC=C(C)C.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(3-methylbut-2-enylamino)propanamide?
The InChIKey is KOZWRRVHFJMNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-7-13(5,6)15-12(16)11(4)14-9-8-10(2)3/h8,11,14H,7,9H2,1-6H3,(H,15,16).
What are the key properties of N-(2-methylbutan-2-yl)-2-(3-methylbut-2-enylamino)propanamide?
N-(2-methylbutan-2-yl)-2-(3-methylbut-2-enylamino)propanamide has a molecular weight of 226.36 g/mol, XLogP of 2.24, 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-(3-methylbut-2-enylamino)propanamide is sourced from PubChem (CID 103520478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).