N-(2-methoxyethyl)-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide

C12H19NO2 — CID 144598404

IUPACN-(2-methoxyethyl)-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide
SMILESC=C(C)C(=C)N(CCOC)C(=O)C(=C)C
InChIInChI=1S/C12H19NO2/c1-9(2)11(5)13(7-8-15-6)12(14)10(3)4/h1,3,5,7-8H2,2,4,6H3
InChIKeyDPIYLCQPMHTXLR-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.13
Rot. Bonds6

About N-(2-methoxyethyl)-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide

N-(2-methoxyethyl)-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide (PubChem CID 144598404) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide
PubChem CID144598404
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-(2-methoxyethyl)-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide
SMILESC=C(C)C(=C)N(CCOC)C(=O)C(=C)C
InChIInChI=1S/C12H19NO2/c1-9(2)11(5)13(7-8-15-6)12(14)10(3)4/h1,3,5,7-8H2,2,4,6H3
InChIKeyDPIYLCQPMHTXLR-UHFFFAOYSA-N
XLogP2.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-methyl-N-propylprop-2-enamide
CID 91054907
2-methyl-N-(2-methylprop-2-enoyl)-N-(4-trimethoxysilylbutyl)prop-2-enamide
CID 174145597
1,2-dimethoxyethane;methyl 2-methylprop-2-enoate
CID 175106203
N-methoxy-N-[3-[methoxy(2-methylprop-2-enoyl)amino]propyl]-2-methylprop-2-enamide
CID 58288610
acetic acid;2-methoxy-N,N-dimethylethanamine
CID 173078438
N,2-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide
CID 171556430
N-(hydroxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide
CID 19038709
4-[bis(2-methoxyethyl)amino]butan-2-one
CID 60649279
2-methoxyethyl acetate;2-methylprop-2-enoic acid
CID 162012493
N-[3-(dimethylamino)propyl]-N-(methoxymethyl)-2-methylprop-2-enamide
CID 151029194
1-[bis(2-methylprop-2-enoyl)amino]propan-2-yl dihydrogen phosphate
CID 90421590
N-[12-[diethoxy(methyl)silyl]dodecyl]-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
CID 174145593

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide (CID 144598404) is N-(2-methoxyethyl)-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide is C=C(C)C(=C)N(CCOC)C(=O)C(=C)C.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide?
The InChIKey is DPIYLCQPMHTXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(2)11(5)13(7-8-15-6)12(14)10(3)4/h1,3,5,7-8H2,2,4,6H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide?
N-(2-methoxyethyl)-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide has a molecular weight of 209.29 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide is sourced from PubChem (CID 144598404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).