N-(3,4,4-trimethylpentan-2-yl)prop-2-enamide

C11H21NO — CID 19792332

IUPACN-(3,4,4-trimethylpentan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)C(C)C(C)(C)C
InChIInChI=1S/C11H21NO/c1-7-10(13)12-9(3)8(2)11(4,5)6/h7-9H,1H2,2-6H3,(H,12,13)
InChIKeyYSXRSCFFHOWNMK-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.36
Rot. Bonds3

About N-(3,4,4-trimethylpentan-2-yl)prop-2-enamide

N-(3,4,4-trimethylpentan-2-yl)prop-2-enamide (PubChem CID 19792332) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(3,4,4-trimethylpentan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(3,4,4-trimethylpentan-2-yl)prop-2-enamide
PubChem CID19792332
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(3,4,4-trimethylpentan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)C(C)C(C)(C)C
InChIInChI=1S/C11H21NO/c1-7-10(13)12-9(3)8(2)11(4,5)6/h7-9H,1H2,2-6H3,(H,12,13)
InChIKeyYSXRSCFFHOWNMK-UHFFFAOYSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(3,4,4-trimethylpentan-2-yl)prop-2-enamide?
The IUPAC name of N-(3,4,4-trimethylpentan-2-yl)prop-2-enamide (CID 19792332) is N-(3,4,4-trimethylpentan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(3,4,4-trimethylpentan-2-yl)prop-2-enamide?
The canonical SMILES for N-(3,4,4-trimethylpentan-2-yl)prop-2-enamide is C=CC(=O)NC(C)C(C)C(C)(C)C.
What is the InChIKey of N-(3,4,4-trimethylpentan-2-yl)prop-2-enamide?
The InChIKey is YSXRSCFFHOWNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-7-10(13)12-9(3)8(2)11(4,5)6/h7-9H,1H2,2-6H3,(H,12,13).
What are the key properties of N-(3,4,4-trimethylpentan-2-yl)prop-2-enamide?
N-(3,4,4-trimethylpentan-2-yl)prop-2-enamide has a molecular weight of 183.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,4-trimethylpentan-2-yl)prop-2-enamide is sourced from PubChem (CID 19792332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).