N-[3-(2,3-dimethylbutoxy)-3-methylbutan-2-yl]prop-2-enamide

C14H27NO2 — CID 142409131

IUPACN-[3-(2,3-dimethylbutoxy)-3-methylbutan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(C)C(C)(C)OCC(C)C(C)C
InChIInChI=1S/C14H27NO2/c1-8-13(16)15-12(5)14(6,7)17-9-11(4)10(2)3/h8,10-12H,1,9H2,2-7H3,(H,15,16)
InChIKeyOUUVASRYWNBECL-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.76
Rot. Bonds7

About N-[3-(2,3-dimethylbutoxy)-3-methylbutan-2-yl]prop-2-enamide

N-[3-(2,3-dimethylbutoxy)-3-methylbutan-2-yl]prop-2-enamide (PubChem CID 142409131) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-[3-(2,3-dimethylbutoxy)-3-methylbutan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(2,3-dimethylbutoxy)-3-methylbutan-2-yl]prop-2-enamide
PubChem CID142409131
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-[3-(2,3-dimethylbutoxy)-3-methylbutan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC(C)C(C)(C)OCC(C)C(C)C
InChIInChI=1S/C14H27NO2/c1-8-13(16)15-12(5)14(6,7)17-9-11(4)10(2)3/h8,10-12H,1,9H2,2-7H3,(H,15,16)
InChIKeyOUUVASRYWNBECL-UHFFFAOYSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.76
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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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
azane;N-(3-chloro-3-methylbutan-2-yl)prop-2-enamide
CID 87146686
N-(2,2,4-trimethylpentan-3-yl)prop-2-enamide
CID 23505015
N-[(2S)-1-methoxypropan-2-yl]prop-2-enamide
CID 118137430
hydroxy-[2-methyl-1-(prop-2-enoylamino)propyl]-oxophosphanium
CID 156505572
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
sodium N-propan-2-ylprop-2-enamide
CID 19004870
N-(2,3,3-trimethylbutyl)prop-2-enamide
CID 83142372
tert-butyl 4-methyl-2-(prop-2-enoylamino)pentanoate
CID 85256183
sodium;hydride;N-propan-2-ylprop-2-enamide
CID 173347226
3-methyl-2-(prop-2-enoylamino)butanoic acid
CID 3320462

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dimethylbutoxy)-3-methylbutan-2-yl]prop-2-enamide?
The IUPAC name of N-[3-(2,3-dimethylbutoxy)-3-methylbutan-2-yl]prop-2-enamide (CID 142409131) is N-[3-(2,3-dimethylbutoxy)-3-methylbutan-2-yl]prop-2-enamide.
What is the SMILES notation for N-[3-(2,3-dimethylbutoxy)-3-methylbutan-2-yl]prop-2-enamide?
The canonical SMILES for N-[3-(2,3-dimethylbutoxy)-3-methylbutan-2-yl]prop-2-enamide is C=CC(=O)NC(C)C(C)(C)OCC(C)C(C)C.
What is the InChIKey of N-[3-(2,3-dimethylbutoxy)-3-methylbutan-2-yl]prop-2-enamide?
The InChIKey is OUUVASRYWNBECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-8-13(16)15-12(5)14(6,7)17-9-11(4)10(2)3/h8,10-12H,1,9H2,2-7H3,(H,15,16).
What are the key properties of N-[3-(2,3-dimethylbutoxy)-3-methylbutan-2-yl]prop-2-enamide?
N-[3-(2,3-dimethylbutoxy)-3-methylbutan-2-yl]prop-2-enamide has a molecular weight of 241.37 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dimethylbutoxy)-3-methylbutan-2-yl]prop-2-enamide is sourced from PubChem (CID 142409131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).