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

C11H21NO — CID 23505015

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

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

N-(2,2,4-trimethylpentan-3-yl)prop-2-enamide (PubChem CID 23505015) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(2,2,4-trimethylpentan-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,2,4-trimethylpentan-3-yl)prop-2-enamide
PubChem CID23505015
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(2,2,4-trimethylpentan-3-yl)prop-2-enamide
SMILESC=CC(=O)NC(C(C)C)C(C)(C)C
InChIInChI=1S/C11H21NO/c1-7-9(13)12-10(8(2)3)11(4,5)6/h7-8,10H,1H2,2-6H3,(H,12,13)
InChIKeyOZSGRFSDLZEKQE-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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Related Compounds

N-(3-hydroxy-3-methylbutan-2-yl)prop-2-enamide
CID 130862795
N-(3-chloro-3-methylbutan-2-yl)prop-2-enamide
CID 87146687
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
sodium N-propan-2-ylprop-2-enamide
CID 19004870
azane;N-(3-chloro-3-methylbutan-2-yl)prop-2-enamide
CID 87146686
sodium;hydride;N-propan-2-ylprop-2-enamide
CID 173347226
3-methyl-2-(prop-2-enoylamino)butanoic acid
CID 3320462
azane;2,2-dimethyl-1-(prop-2-enoylamino)propane-1-sulfonic acid
CID 174724043
hydroxy-[2-methyl-1-(prop-2-enoylamino)propyl]-oxophosphanium
CID 156505572
[2-methyl-1-(prop-2-enoylamino)propyl]phosphonic acid
CID 22111436
N-(2,3,3-trimethylbutyl)prop-2-enamide
CID 83142372
N-[3-(2,3-dimethylbutoxy)-3-methylbutan-2-yl]prop-2-enamide
CID 142409131

Frequently Asked Questions

What is the IUPAC name of N-(2,2,4-trimethylpentan-3-yl)prop-2-enamide?
The IUPAC name of N-(2,2,4-trimethylpentan-3-yl)prop-2-enamide (CID 23505015) is N-(2,2,4-trimethylpentan-3-yl)prop-2-enamide.
What is the SMILES notation for N-(2,2,4-trimethylpentan-3-yl)prop-2-enamide?
The canonical SMILES for N-(2,2,4-trimethylpentan-3-yl)prop-2-enamide is C=CC(=O)NC(C(C)C)C(C)(C)C.
What is the InChIKey of N-(2,2,4-trimethylpentan-3-yl)prop-2-enamide?
The InChIKey is OZSGRFSDLZEKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-7-9(13)12-10(8(2)3)11(4,5)6/h7-8,10H,1H2,2-6H3,(H,12,13).
What are the key properties of N-(2,2,4-trimethylpentan-3-yl)prop-2-enamide?
N-(2,2,4-trimethylpentan-3-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-(2,2,4-trimethylpentan-3-yl)prop-2-enamide is sourced from PubChem (CID 23505015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).