N,3-dimethyl-2-(pent-4-enoylamino)butanamide

C11H20N2O2 — CID 89194396

IUPACN,3-dimethyl-2-(pent-4-enoylamino)butanamide
SMILESC=CCCC(=O)NC(C(=O)NC)C(C)C
InChIInChI=1S/C11H20N2O2/c1-5-6-7-9(14)13-10(8(2)3)11(15)12-4/h5,8,10H,1,6-7H2,2-4H3,(H,12,15)(H,13,14)
InChIKeySFVNHFLBXSVGOZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.84
Rot. Bonds6

About N,3-dimethyl-2-(pent-4-enoylamino)butanamide

N,3-dimethyl-2-(pent-4-enoylamino)butanamide (PubChem CID 89194396) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N,3-dimethyl-2-(pent-4-enoylamino)butanamide.

Molecular Properties

Compound NameN,3-dimethyl-2-(pent-4-enoylamino)butanamide
PubChem CID89194396
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN,3-dimethyl-2-(pent-4-enoylamino)butanamide
SMILESC=CCCC(=O)NC(C(=O)NC)C(C)C
InChIInChI=1S/C11H20N2O2/c1-5-6-7-9(14)13-10(8(2)3)11(15)12-4/h5,8,10H,1,6-7H2,2-4H3,(H,12,15)(H,13,14)
InChIKeySFVNHFLBXSVGOZ-UHFFFAOYSA-N
XLogP0.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.84
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

CID 9834213
CID 9834213
CID 9855735
CID 9855735
CID 9899099
CID 9899099
CID 3021270
CID 3021270
CID 86208811
CID 86208811
CID 90734779
CID 90734779
CID 96740616
CID 96740616
CID 100685042
CID 100685042
CID 23273486
CID 23273486
CID 165618986
CID 165618986
CID 134920554
CID 134920554
CID 134988377
CID 134988377

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-(pent-4-enoylamino)butanamide?
The IUPAC name of N,3-dimethyl-2-(pent-4-enoylamino)butanamide (CID 89194396) is N,3-dimethyl-2-(pent-4-enoylamino)butanamide.
What is the SMILES notation for N,3-dimethyl-2-(pent-4-enoylamino)butanamide?
The canonical SMILES for N,3-dimethyl-2-(pent-4-enoylamino)butanamide is C=CCCC(=O)NC(C(=O)NC)C(C)C.
What is the InChIKey of N,3-dimethyl-2-(pent-4-enoylamino)butanamide?
The InChIKey is SFVNHFLBXSVGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-6-7-9(14)13-10(8(2)3)11(15)12-4/h5,8,10H,1,6-7H2,2-4H3,(H,12,15)(H,13,14).
What are the key properties of N,3-dimethyl-2-(pent-4-enoylamino)butanamide?
N,3-dimethyl-2-(pent-4-enoylamino)butanamide has a molecular weight of 212.29 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(pent-4-enoylamino)butanamide is sourced from PubChem (CID 89194396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).