2-(butan-2-ylamino)ethyl 2-methylprop-2-enoate;ethane;2-(methylamino)ethyl prop-2-enoate;molecular hydrogen

C18H40N2O4 — CID 156746930

IUPAC2-(butan-2-ylamino)ethyl 2-methylprop-2-enoate;ethane;2-(methylamino)ethyl prop-2-enoate;molecular hydrogen
SMILESC=C(C)C(=O)OCCNC(C)CC.C=CC(=O)OCCNC.CC.[H][H].[H][H]
InChIInChI=1S/C10H19NO2.C6H11NO2.C2H6.2H2/c1-5-9(4)11-6-7-13-10(12)8(2)3;1-3-6(8)9-5-4-7-2;1-2;;/h9,11H,2,5-7H2,1,3-4H3;3,7H,1,4-5H2,2H3;1-2H3;2*1H
InChIKeyFDZUAHLJNDMSDT-UHFFFAOYSA-N
MW348.53 g/mol
LogP2.95
Rot. Bonds10

About 2-(butan-2-ylamino)ethyl 2-methylprop-2-enoate;ethane;2-(methylamino)ethyl prop-2-enoate;molecular hydrogen

2-(butan-2-ylamino)ethyl 2-methylprop-2-enoate;ethane;2-(methylamino)ethyl prop-2-enoate;molecular hydrogen (PubChem CID 156746930) has the molecular formula C18H40N2O4 and a molecular weight of 348.53 g/mol. Its IUPAC name is 2-(butan-2-ylamino)ethyl 2-methylprop-2-enoate;ethane;2-(methylamino)ethyl prop-2-enoate;molecular hydrogen.

Molecular Properties

Compound Name2-(butan-2-ylamino)ethyl 2-methylprop-2-enoate;ethane;2-(methylamino)ethyl prop-2-enoate;molecular hydrogen
PubChem CID156746930
Molecular FormulaC18H40N2O4
Molecular Weight348.53 g/mol
Exact Mass348.30
IUPAC Name2-(butan-2-ylamino)ethyl 2-methylprop-2-enoate;ethane;2-(methylamino)ethyl prop-2-enoate;molecular hydrogen
SMILESC=C(C)C(=O)OCCNC(C)CC.C=CC(=O)OCCNC.CC.[H][H].[H][H]
InChIInChI=1S/C10H19NO2.C6H11NO2.C2H6.2H2/c1-5-9(4)11-6-7-13-10(12)8(2)3;1-3-6(8)9-5-4-7-2;1-2;;/h9,11H,2,5-7H2,1,3-4H3;3,7H,1,4-5H2,2H3;1-2H3;2*1H
InChIKeyFDZUAHLJNDMSDT-UHFFFAOYSA-N
XLogP2.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 52.95
H-Bond Donors ≤ 52
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

3-(butan-2-ylamino)propyl prop-2-enoate
CID 54483162
butyl 2-methylprop-2-enoate;6-methylheptyl prop-2-enoate
CID 175726078
butyl 2-methylprop-2-enoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate
CID 159107941
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 160886159
bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate)
CID 160660181
4-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-(2-prop-2-enoyloxyethyl) (E)-but-2-enedioate
CID 178063715
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 159354100
butyl 2-methylprop-2-enoate;octadecyl prop-2-enoate
CID 87991734
butyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 172788583
butyl 2-methylprop-2-enoate;butyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 161441199
butyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 23051015
10-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate;10-prop-2-enoyloxydecyl prop-2-enoate;12-prop-2-enoyloxydodecyl prop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 162183490

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)ethyl 2-methylprop-2-enoate;ethane;2-(methylamino)ethyl prop-2-enoate;molecular hydrogen?
The IUPAC name of 2-(butan-2-ylamino)ethyl 2-methylprop-2-enoate;ethane;2-(methylamino)ethyl prop-2-enoate;molecular hydrogen (CID 156746930) is 2-(butan-2-ylamino)ethyl 2-methylprop-2-enoate;ethane;2-(methylamino)ethyl prop-2-enoate;molecular hydrogen.
What is the SMILES notation for 2-(butan-2-ylamino)ethyl 2-methylprop-2-enoate;ethane;2-(methylamino)ethyl prop-2-enoate;molecular hydrogen?
The canonical SMILES for 2-(butan-2-ylamino)ethyl 2-methylprop-2-enoate;ethane;2-(methylamino)ethyl prop-2-enoate;molecular hydrogen is C=C(C)C(=O)OCCNC(C)CC.C=CC(=O)OCCNC.CC.[H][H].[H][H].
What is the InChIKey of 2-(butan-2-ylamino)ethyl 2-methylprop-2-enoate;ethane;2-(methylamino)ethyl prop-2-enoate;molecular hydrogen?
The InChIKey is FDZUAHLJNDMSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C6H11NO2.C2H6.2H2/c1-5-9(4)11-6-7-13-10(12)8(2)3;1-3-6(8)9-5-4-7-2;1-2;;/h9,11H,2,5-7H2,1,3-4H3;3,7H,1,4-5H2,2H3;1-2H3;2*1H.
What are the key properties of 2-(butan-2-ylamino)ethyl 2-methylprop-2-enoate;ethane;2-(methylamino)ethyl prop-2-enoate;molecular hydrogen?
2-(butan-2-ylamino)ethyl 2-methylprop-2-enoate;ethane;2-(methylamino)ethyl prop-2-enoate;molecular hydrogen has a molecular weight of 348.53 g/mol, XLogP of 2.95, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)ethyl 2-methylprop-2-enoate;ethane;2-(methylamino)ethyl prop-2-enoate;molecular hydrogen is sourced from PubChem (CID 156746930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).