2-(2-methylprop-2-enoyloxy)ethyl 3-ethyl-2-methyl-5-(propylamino)pent-2-enoate

C17H29NO4 — CID 175509249

IUPAC2-(2-methylprop-2-enoyloxy)ethyl 3-ethyl-2-methyl-5-(propylamino)pent-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)C(C)=C(CC)CCNCCC
InChIInChI=1S/C17H29NO4/c1-6-9-18-10-8-15(7-2)14(5)17(20)22-12-11-21-16(19)13(3)4/h18H,3,6-12H2,1-2,4-5H3
InChIKeyFVQCLULKSXNBCO-UHFFFAOYSA-N
MW311.42 g/mol
LogP2.77
Rot. Bonds11

About 2-(2-methylprop-2-enoyloxy)ethyl 3-ethyl-2-methyl-5-(propylamino)pent-2-enoate

2-(2-methylprop-2-enoyloxy)ethyl 3-ethyl-2-methyl-5-(propylamino)pent-2-enoate (PubChem CID 175509249) has the molecular formula C17H29NO4 and a molecular weight of 311.42 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)ethyl 3-ethyl-2-methyl-5-(propylamino)pent-2-enoate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)ethyl 3-ethyl-2-methyl-5-(propylamino)pent-2-enoate
PubChem CID175509249
Molecular FormulaC17H29NO4
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC Name2-(2-methylprop-2-enoyloxy)ethyl 3-ethyl-2-methyl-5-(propylamino)pent-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)C(C)=C(CC)CCNCCC
InChIInChI=1S/C17H29NO4/c1-6-9-18-10-8-15(7-2)14(5)17(20)22-12-11-21-16(19)13(3)4/h18H,3,6-12H2,1-2,4-5H3
InChIKeyFVQCLULKSXNBCO-UHFFFAOYSA-N
XLogP2.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(propylamino)ethyl 2-methylprop-2-enoate
CID 18325626
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 118552732
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
CID 153485149
2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate
CID 87287527
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
azane;propyl 2-methylprop-2-enoate
CID 172812841
2-O-[[2-[2-(2-methylidenebutanoyloxy)ethoxy]-2-oxoacetyl]oxymethyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] oxalate
CID 170394745
butyl 3-ethyl-2-methylundec-2-enoate
CID 175495316
octyl 3-ethyl-2-methylhex-2-enoate
CID 175495245
N-butylbutan-1-amine;ethyl 2-methylprop-2-enoate
CID 158486593

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 3-ethyl-2-methyl-5-(propylamino)pent-2-enoate?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 3-ethyl-2-methyl-5-(propylamino)pent-2-enoate (CID 175509249) is 2-(2-methylprop-2-enoyloxy)ethyl 3-ethyl-2-methyl-5-(propylamino)pent-2-enoate.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)ethyl 3-ethyl-2-methyl-5-(propylamino)pent-2-enoate?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)ethyl 3-ethyl-2-methyl-5-(propylamino)pent-2-enoate is C=C(C)C(=O)OCCOC(=O)C(C)=C(CC)CCNCCC.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)ethyl 3-ethyl-2-methyl-5-(propylamino)pent-2-enoate?
The InChIKey is FVQCLULKSXNBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4/c1-6-9-18-10-8-15(7-2)14(5)17(20)22-12-11-21-16(19)13(3)4/h18H,3,6-12H2,1-2,4-5H3.
What are the key properties of 2-(2-methylprop-2-enoyloxy)ethyl 3-ethyl-2-methyl-5-(propylamino)pent-2-enoate?
2-(2-methylprop-2-enoyloxy)ethyl 3-ethyl-2-methyl-5-(propylamino)pent-2-enoate has a molecular weight of 311.42 g/mol, XLogP of 2.77, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)ethyl 3-ethyl-2-methyl-5-(propylamino)pent-2-enoate is sourced from PubChem (CID 175509249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).