N,N-bis[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]prop-2-enamide

C17H25NO3 — CID 134446258

IUPACN,N-bis[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]prop-2-enamide
SMILESC=CC(=O)N(CCOC(=C)C(=C)C)CCOC(=C)C(=C)C
InChIInChI=1S/C17H25NO3/c1-8-17(19)18(9-11-20-15(6)13(2)3)10-12-21-16(7)14(4)5/h8H,1-2,4,6-7,9-12H2,3,5H3
InChIKeyLWWIJSGGOGWUKT-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.21
Rot. Bonds11

About N,N-bis[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]prop-2-enamide

N,N-bis[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]prop-2-enamide (PubChem CID 134446258) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N,N-bis[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN,N-bis[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]prop-2-enamide
PubChem CID134446258
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN,N-bis[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]prop-2-enamide
SMILESC=CC(=O)N(CCOC(=C)C(=C)C)CCOC(=C)C(=C)C
InChIInChI=1S/C17H25NO3/c1-8-17(19)18(9-11-20-15(6)13(2)3)10-12-21-16(7)14(4)5/h8H,1-2,4,6-7,9-12H2,3,5H3
InChIKeyLWWIJSGGOGWUKT-UHFFFAOYSA-N
XLogP3.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[2-[2-[2-[ethyl(prop-2-enoyl)amino]ethoxy]ethoxy]ethyl]prop-2-enamide
CID 101483878
N,N-bis(2-hydroxyethyl)prop-2-enamide;ethane
CID 176950380
2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate
CID 58535870
ethyl 2-[2-methoxyethyl(prop-2-enoyl)amino]acetate
CID 60948673
N-decyl-N-(2-ethoxyethyl)prop-2-enamide
CID 150859933
2-[acetyl(propyl)amino]ethyl prop-2-enoate
CID 118477118
2-[cyclohexyl(prop-2-enoyl)amino]ethyl 2-methylprop-2-enoate
CID 118885910
butyl 3-[prop-2-enoyl(propyl)amino]propanoate
CID 134486342
N-(2-ethenoxyethoxymethyl)-N-ethylprop-2-enamide
CID 118885927
N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)prop-2-enamide
CID 60949543
2-[hydroxymethyl-[hydroxymethyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate
CID 139748456
N-(3-aminopropyl)-N-propylprop-2-enamide
CID 150203035

Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]prop-2-enamide?
The IUPAC name of N,N-bis[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]prop-2-enamide (CID 134446258) is N,N-bis[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]prop-2-enamide.
What is the SMILES notation for N,N-bis[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]prop-2-enamide?
The canonical SMILES for N,N-bis[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]prop-2-enamide is C=CC(=O)N(CCOC(=C)C(=C)C)CCOC(=C)C(=C)C.
What is the InChIKey of N,N-bis[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]prop-2-enamide?
The InChIKey is LWWIJSGGOGWUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-8-17(19)18(9-11-20-15(6)13(2)3)10-12-21-16(7)14(4)5/h8H,1-2,4,6-7,9-12H2,3,5H3.
What are the key properties of N,N-bis[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]prop-2-enamide?
N,N-bis[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]prop-2-enamide has a molecular weight of 291.39 g/mol, XLogP of 3.21, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]prop-2-enamide is sourced from PubChem (CID 134446258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).