2-methoxy-2-methyl-N-[(2R,3R)-3-methylpent-4-en-2-yl]propanamide

C11H21NO2 — CID 174019067

IUPAC2-methoxy-2-methyl-N-[(2R,3R)-3-methylpent-4-en-2-yl]propanamide
SMILESC=C[C@@H](C)[C@@H](C)NC(=O)C(C)(C)OC
InChIInChI=1S/C11H21NO2/c1-7-8(2)9(3)12-10(13)11(4,5)14-6/h7-9H,1H2,2-6H3,(H,12,13)/t8-,9-/m1/s1
InChIKeyXTFGTEHHRNHOEN-RKDXNWHRSA-N
MW199.29 g/mol
LogP1.74
Rot. Bonds5

About 2-methoxy-2-methyl-N-[(2R,3R)-3-methylpent-4-en-2-yl]propanamide

2-methoxy-2-methyl-N-[(2R,3R)-3-methylpent-4-en-2-yl]propanamide (PubChem CID 174019067) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-[(2R,3R)-3-methylpent-4-en-2-yl]propanamide.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-[(2R,3R)-3-methylpent-4-en-2-yl]propanamide
PubChem CID174019067
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-methoxy-2-methyl-N-[(2R,3R)-3-methylpent-4-en-2-yl]propanamide
SMILESC=C[C@@H](C)[C@@H](C)NC(=O)C(C)(C)OC
InChIInChI=1S/C11H21NO2/c1-7-8(2)9(3)12-10(13)11(4,5)14-6/h7-9H,1H2,2-6H3,(H,12,13)/t8-,9-/m1/s1
InChIKeyXTFGTEHHRNHOEN-RKDXNWHRSA-N
XLogP1.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103022130
(2S,3S)-2-[(2-methoxy-2-methylpropanoyl)amino]-3-methylpentanoic acid
CID 103018390
N-[(1R)-1-cyclopentylethyl]-2-methoxy-2-methylpropanamide
CID 103029233
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103020377
methyl (2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 130664858
N-[(1S)-1-cyclohexylethyl]-2-methoxy-2-methylpropanamide
CID 103029230
methyl (2S,3R)-2,3-dimethylpent-4-enoate
CID 13148875
diethyl 2-[(2-methoxy-2-methylpropanoyl)amino]propanedioate
CID 103021733
N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-2-methylpropanamide
CID 105342956
N-[(1S)-1-(2-bromophenyl)ethyl]-2-methoxy-2-methylpropanamide
CID 113344954
N-but-3-en-2-yl-2,2-dimethylpropanamide
CID 112698624
methyl 2-amino-3-methylpent-4-enoate
CID 15609996

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-[(2R,3R)-3-methylpent-4-en-2-yl]propanamide?
The IUPAC name of 2-methoxy-2-methyl-N-[(2R,3R)-3-methylpent-4-en-2-yl]propanamide (CID 174019067) is 2-methoxy-2-methyl-N-[(2R,3R)-3-methylpent-4-en-2-yl]propanamide.
What is the SMILES notation for 2-methoxy-2-methyl-N-[(2R,3R)-3-methylpent-4-en-2-yl]propanamide?
The canonical SMILES for 2-methoxy-2-methyl-N-[(2R,3R)-3-methylpent-4-en-2-yl]propanamide is C=C[C@@H](C)[C@@H](C)NC(=O)C(C)(C)OC.
What is the InChIKey of 2-methoxy-2-methyl-N-[(2R,3R)-3-methylpent-4-en-2-yl]propanamide?
The InChIKey is XTFGTEHHRNHOEN-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7-8(2)9(3)12-10(13)11(4,5)14-6/h7-9H,1H2,2-6H3,(H,12,13)/t8-,9-/m1/s1.
What are the key properties of 2-methoxy-2-methyl-N-[(2R,3R)-3-methylpent-4-en-2-yl]propanamide?
2-methoxy-2-methyl-N-[(2R,3R)-3-methylpent-4-en-2-yl]propanamide has a molecular weight of 199.29 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-[(2R,3R)-3-methylpent-4-en-2-yl]propanamide is sourced from PubChem (CID 174019067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).