N-(1-methoxy-3-methylbutan-2-yl)prop-2-enamide

C9H17NO2 — CID 65047544

IUPACN-(1-methoxy-3-methylbutan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(COC)C(C)C
InChIInChI=1S/C9H17NO2/c1-5-9(11)10-8(6-12-4)7(2)3/h5,7-8H,1,6H2,2-4H3,(H,10,11)
InChIKeyPMOCDMTUMFURIZ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.96
Rot. Bonds5

About N-(1-methoxy-3-methylbutan-2-yl)prop-2-enamide

N-(1-methoxy-3-methylbutan-2-yl)prop-2-enamide (PubChem CID 65047544) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)prop-2-enamide
PubChem CID65047544
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(COC)C(C)C
InChIInChI=1S/C9H17NO2/c1-5-9(11)10-8(6-12-4)7(2)3/h5,7-8H,1,6H2,2-4H3,(H,10,11)
InChIKeyPMOCDMTUMFURIZ-UHFFFAOYSA-N
XLogP0.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)prop-2-enamide?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)prop-2-enamide (CID 65047544) is N-(1-methoxy-3-methylbutan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)prop-2-enamide?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)prop-2-enamide is C=CC(=O)NC(COC)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)prop-2-enamide?
The InChIKey is PMOCDMTUMFURIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-9(11)10-8(6-12-4)7(2)3/h5,7-8H,1,6H2,2-4H3,(H,10,11).
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)prop-2-enamide?
N-(1-methoxy-3-methylbutan-2-yl)prop-2-enamide has a molecular weight of 171.24 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)prop-2-enamide is sourced from PubChem (CID 65047544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).