N-but-3-enyl-2-(3-methylbutoxy)propanamide

C12H23NO2 — CID 88950956

IUPACN-but-3-enyl-2-(3-methylbutoxy)propanamide
SMILESC=CCCNC(=O)C(C)OCCC(C)C
InChIInChI=1S/C12H23NO2/c1-5-6-8-13-12(14)11(4)15-9-7-10(2)3/h5,10-11H,1,6-9H2,2-4H3,(H,13,14)
InChIKeySIXHQKJBPVCPLT-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.13
Rot. Bonds8

About N-but-3-enyl-2-(3-methylbutoxy)propanamide

N-but-3-enyl-2-(3-methylbutoxy)propanamide (PubChem CID 88950956) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-but-3-enyl-2-(3-methylbutoxy)propanamide.

Molecular Properties

Compound NameN-but-3-enyl-2-(3-methylbutoxy)propanamide
PubChem CID88950956
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-but-3-enyl-2-(3-methylbutoxy)propanamide
SMILESC=CCCNC(=O)C(C)OCCC(C)C
InChIInChI=1S/C12H23NO2/c1-5-6-8-13-12(14)11(4)15-9-7-10(2)3/h5,10-11H,1,6-9H2,2-4H3,(H,13,14)
InChIKeySIXHQKJBPVCPLT-UHFFFAOYSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-2-(3-methylbutoxy)propanamide?
The IUPAC name of N-but-3-enyl-2-(3-methylbutoxy)propanamide (CID 88950956) is N-but-3-enyl-2-(3-methylbutoxy)propanamide.
What is the SMILES notation for N-but-3-enyl-2-(3-methylbutoxy)propanamide?
The canonical SMILES for N-but-3-enyl-2-(3-methylbutoxy)propanamide is C=CCCNC(=O)C(C)OCCC(C)C.
What is the InChIKey of N-but-3-enyl-2-(3-methylbutoxy)propanamide?
The InChIKey is SIXHQKJBPVCPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-6-8-13-12(14)11(4)15-9-7-10(2)3/h5,10-11H,1,6-9H2,2-4H3,(H,13,14).
What are the key properties of N-but-3-enyl-2-(3-methylbutoxy)propanamide?
N-but-3-enyl-2-(3-methylbutoxy)propanamide has a molecular weight of 213.32 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2-(3-methylbutoxy)propanamide is sourced from PubChem (CID 88950956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).