N,N-dimethylprop-2-enamide;2-dodecoxyethyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate

C39H73NO6 — CID 170852426

IUPACN,N-dimethylprop-2-enamide;2-dodecoxyethyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCC.C=C(C)C(=O)OCCOCCCCCCCCCCCC.C=CC(=O)N(C)C
InChIInChI=1S/C18H34O3.C16H30O2.C5H9NO/c1-4-5-6-7-8-9-10-11-12-13-14-20-15-16-21-18(19)17(2)3;1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-4-5(7)6(2)3/h2,4-16H2,1,3H3;2,4-14H2,1,3H3;4H,1H2,2-3H3
InChIKeyZDKNGSHFLJSJEL-UHFFFAOYSA-N
MW652.01 g/mol
LogP10.33
Rot. Bonds28

About N,N-dimethylprop-2-enamide;2-dodecoxyethyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate

N,N-dimethylprop-2-enamide;2-dodecoxyethyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate (PubChem CID 170852426) has the molecular formula C39H73NO6 and a molecular weight of 652.01 g/mol. Its IUPAC name is N,N-dimethylprop-2-enamide;2-dodecoxyethyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate.

Molecular Properties

Compound NameN,N-dimethylprop-2-enamide;2-dodecoxyethyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate
PubChem CID170852426
Molecular FormulaC39H73NO6
Molecular Weight652.01 g/mol
Exact Mass651.54
IUPAC NameN,N-dimethylprop-2-enamide;2-dodecoxyethyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCCCCCCC.C=C(C)C(=O)OCCOCCCCCCCCCCCC.C=CC(=O)N(C)C
InChIInChI=1S/C18H34O3.C16H30O2.C5H9NO/c1-4-5-6-7-8-9-10-11-12-13-14-20-15-16-21-18(19)17(2)3;1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-4-5(7)6(2)3/h2,4-16H2,1,3H3;2,4-14H2,1,3H3;4H,1H2,2-3H3
InChIKeyZDKNGSHFLJSJEL-UHFFFAOYSA-N
XLogP10.33
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.01
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 102117026
12-octoxydodecyl 2-methylprop-2-enoate
CID 139797904
5-pentoxypentyl 2-methylprop-2-enoate
CID 139797922
10-pentoxydecyl 2-methylprop-2-enoate
CID 139797940
2-methylprop-2-enoic acid;2-octadecoxyethyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 88597701
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate;nonyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 160761810
2-octadec-9-enoxyethyl 2-methylprop-2-enoate
CID 90778770
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22247396
octatetracontyl 2-methylprop-2-enoate
CID 141233444
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylprop-2-enamide;2-dodecoxyethyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate?
The IUPAC name of N,N-dimethylprop-2-enamide;2-dodecoxyethyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate (CID 170852426) is N,N-dimethylprop-2-enamide;2-dodecoxyethyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate.
What is the SMILES notation for N,N-dimethylprop-2-enamide;2-dodecoxyethyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate?
The canonical SMILES for N,N-dimethylprop-2-enamide;2-dodecoxyethyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCCCCCCC.C=C(C)C(=O)OCCOCCCCCCCCCCCC.C=CC(=O)N(C)C.
What is the InChIKey of N,N-dimethylprop-2-enamide;2-dodecoxyethyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate?
The InChIKey is ZDKNGSHFLJSJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3.C16H30O2.C5H9NO/c1-4-5-6-7-8-9-10-11-12-13-14-20-15-16-21-18(19)17(2)3;1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3;1-4-5(7)6(2)3/h2,4-16H2,1,3H3;2,4-14H2,1,3H3;4H,1H2,2-3H3.
What are the key properties of N,N-dimethylprop-2-enamide;2-dodecoxyethyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate?
N,N-dimethylprop-2-enamide;2-dodecoxyethyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate has a molecular weight of 652.01 g/mol, XLogP of 10.33, 28 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylprop-2-enamide;2-dodecoxyethyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate is sourced from PubChem (CID 170852426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).