butyl 2-methylprop-2-enoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate

C18H31NO6 — CID 159107941

IUPACbutyl 2-methylprop-2-enoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate
SMILESC=C(C)C(=O)OCCCC.C=CC(=O)OCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO4.C8H14O2/c1-5-8(12)14-7-6-11-9(13)15-10(2,3)4;1-4-5-6-10-8(9)7(2)3/h5H,1,6-7H2,2-4H3,(H,11,13);2,4-6H2,1,3H3
InChIKeyKECWOUNARISGGM-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.15
Rot. Bonds8

About butyl 2-methylprop-2-enoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate

butyl 2-methylprop-2-enoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate (PubChem CID 159107941) has the molecular formula C18H31NO6 and a molecular weight of 357.45 g/mol. Its IUPAC name is butyl 2-methylprop-2-enoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate.

Molecular Properties

Compound Namebutyl 2-methylprop-2-enoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate
PubChem CID159107941
Molecular FormulaC18H31NO6
Molecular Weight357.45 g/mol
Exact Mass357.22
IUPAC Namebutyl 2-methylprop-2-enoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate
SMILESC=C(C)C(=O)OCCCC.C=CC(=O)OCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO4.C8H14O2/c1-5-8(12)14-7-6-11-9(13)15-10(2,3)4;1-4-5-6-10-8(9)7(2)3/h5H,1,6-7H2,2-4H3,(H,11,13);2,4-6H2,1,3H3
InChIKeyKECWOUNARISGGM-UHFFFAOYSA-N
XLogP3.15
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

butyl 2-methylprop-2-enoate;octadecyl prop-2-enoate
CID 87991734
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
decyl prop-2-enoate;dodecyl prop-2-enoate;nonacosyl 2-methylprop-2-enoate;nonyl prop-2-enoate;octacosyl 2-methylprop-2-enoate;triacontyl 2-methylprop-2-enoate;undecyl prop-2-enoate
CID 158639782
octadecyl prop-2-enoate;tridecyl 2-methylprop-2-enoate
CID 157275770
tert-butyl 2-methylprop-2-enoate;tert-butyl prop-2-enoate;hexyl prop-2-enoate
CID 174799146
butyl prop-2-enoate;methyl 2-methylprop-2-enoate;octyl 2-methylprop-2-enoate
CID 158889413
tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate);tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate)
CID 160716553
2-(octoxycarbonylamino)ethyl prop-2-enoate
CID 101151020
butyl prop-2-enoate;ethyl prop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 159958630
dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl]azanium
CID 123873336
2-(butylamino)ethyl 2-methylprop-2-enoate;3-hydroxypropyl prop-2-enoate;prop-2-enoic acid
CID 158944800

Frequently Asked Questions

What is the IUPAC name of butyl 2-methylprop-2-enoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate?
The IUPAC name of butyl 2-methylprop-2-enoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate (CID 159107941) is butyl 2-methylprop-2-enoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate.
What is the SMILES notation for butyl 2-methylprop-2-enoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate?
The canonical SMILES for butyl 2-methylprop-2-enoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate is C=C(C)C(=O)OCCCC.C=CC(=O)OCCNC(=O)OC(C)(C)C.
What is the InChIKey of butyl 2-methylprop-2-enoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate?
The InChIKey is KECWOUNARISGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4.C8H14O2/c1-5-8(12)14-7-6-11-9(13)15-10(2,3)4;1-4-5-6-10-8(9)7(2)3/h5H,1,6-7H2,2-4H3,(H,11,13);2,4-6H2,1,3H3.
What are the key properties of butyl 2-methylprop-2-enoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate?
butyl 2-methylprop-2-enoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate has a molecular weight of 357.45 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methylprop-2-enoate;2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl prop-2-enoate is sourced from PubChem (CID 159107941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).