N-(2-methylbutan-2-yl)-2-(pent-4-en-2-ylamino)propanamide

C13H26N2O — CID 115632099

IUPACN-(2-methylbutan-2-yl)-2-(pent-4-en-2-ylamino)propanamide
SMILESC=CCC(C)NC(C)C(=O)NC(C)(C)CC
InChIInChI=1S/C13H26N2O/c1-7-9-10(3)14-11(4)12(16)15-13(5,6)8-2/h7,10-11,14H,1,8-9H2,2-6H3,(H,15,16)
InChIKeyYYNRIHBKHJWZPB-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.23
Rot. Bonds7

About N-(2-methylbutan-2-yl)-2-(pent-4-en-2-ylamino)propanamide

N-(2-methylbutan-2-yl)-2-(pent-4-en-2-ylamino)propanamide (PubChem CID 115632099) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(pent-4-en-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(pent-4-en-2-ylamino)propanamide
PubChem CID115632099
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2-methylbutan-2-yl)-2-(pent-4-en-2-ylamino)propanamide
SMILESC=CCC(C)NC(C)C(=O)NC(C)(C)CC
InChIInChI=1S/C13H26N2O/c1-7-9-10(3)14-11(4)12(16)15-13(5,6)8-2/h7,10-11,14H,1,8-9H2,2-6H3,(H,15,16)
InChIKeyYYNRIHBKHJWZPB-UHFFFAOYSA-N
XLogP2.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(pent-4-en-2-ylamino)propanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(pent-4-en-2-ylamino)propanamide (CID 115632099) is N-(2-methylbutan-2-yl)-2-(pent-4-en-2-ylamino)propanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(pent-4-en-2-ylamino)propanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(pent-4-en-2-ylamino)propanamide is C=CCC(C)NC(C)C(=O)NC(C)(C)CC.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(pent-4-en-2-ylamino)propanamide?
The InChIKey is YYNRIHBKHJWZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-7-9-10(3)14-11(4)12(16)15-13(5,6)8-2/h7,10-11,14H,1,8-9H2,2-6H3,(H,15,16).
What are the key properties of N-(2-methylbutan-2-yl)-2-(pent-4-en-2-ylamino)propanamide?
N-(2-methylbutan-2-yl)-2-(pent-4-en-2-ylamino)propanamide has a molecular weight of 226.36 g/mol, XLogP of 2.23, 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-(pent-4-en-2-ylamino)propanamide is sourced from PubChem (CID 115632099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).