2-[propan-2-yl-(2-prop-1-en-2-ylphenyl)carbamoyl]oxyethyl 2-methylprop-2-enoate

C19H25NO4 — CID 175503672

IUPAC2-[propan-2-yl-(2-prop-1-en-2-ylphenyl)carbamoyl]oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)N(c1ccccc1C(=C)C)C(C)C
InChIInChI=1S/C19H25NO4/c1-13(2)16-9-7-8-10-17(16)20(15(5)6)19(22)24-12-11-23-18(21)14(3)4/h7-10,15H,1,3,11-12H2,2,4-6H3
InChIKeyLXHOAFXKRIDUGW-UHFFFAOYSA-N
MW331.41 g/mol
LogP4.19
Rot. Bonds7

About 2-[propan-2-yl-(2-prop-1-en-2-ylphenyl)carbamoyl]oxyethyl 2-methylprop-2-enoate

2-[propan-2-yl-(2-prop-1-en-2-ylphenyl)carbamoyl]oxyethyl 2-methylprop-2-enoate (PubChem CID 175503672) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-[propan-2-yl-(2-prop-1-en-2-ylphenyl)carbamoyl]oxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[propan-2-yl-(2-prop-1-en-2-ylphenyl)carbamoyl]oxyethyl 2-methylprop-2-enoate
PubChem CID175503672
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name2-[propan-2-yl-(2-prop-1-en-2-ylphenyl)carbamoyl]oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)N(c1ccccc1C(=C)C)C(C)C
InChIInChI=1S/C19H25NO4/c1-13(2)16-9-7-8-10-17(16)20(15(5)6)19(22)24-12-11-23-18(21)14(3)4/h7-10,15H,1,3,11-12H2,2,4-6H3
InChIKeyLXHOAFXKRIDUGW-UHFFFAOYSA-N
XLogP4.19
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
methyl 2-[methoxycarbonyl(propan-2-yl)amino]benzoate
CID 69003350
1-O-(3-hydroxypropyl) 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] benzene-1,2-dicarboxylate
CID 151164300
ethyl 2-methylprop-2-enoate;phthalic acid
CID 66831473
2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-3-phenylprop-2-enoate
CID 70124649
3-(2-benzoylphenyl)propyl 2-methylprop-2-enoate
CID 159477201
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid
CID 158146899
2-(2-methylprop-2-enoyloxy)ethyl 2-methyl-5-phenylpenta-2,4-dienoate
CID 174480451
1-[2-[N-methyl-2-(N-methyl-2-prop-1-en-2-ylanilino)anilino]phenyl]ethanone
CID 137482788
diethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;2-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid
CID 159230948
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-(2-prop-1-en-2-ylphenyl)carbamoyl]oxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[propan-2-yl-(2-prop-1-en-2-ylphenyl)carbamoyl]oxyethyl 2-methylprop-2-enoate (CID 175503672) is 2-[propan-2-yl-(2-prop-1-en-2-ylphenyl)carbamoyl]oxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[propan-2-yl-(2-prop-1-en-2-ylphenyl)carbamoyl]oxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[propan-2-yl-(2-prop-1-en-2-ylphenyl)carbamoyl]oxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(=O)N(c1ccccc1C(=C)C)C(C)C.
What is the InChIKey of 2-[propan-2-yl-(2-prop-1-en-2-ylphenyl)carbamoyl]oxyethyl 2-methylprop-2-enoate?
The InChIKey is LXHOAFXKRIDUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-13(2)16-9-7-8-10-17(16)20(15(5)6)19(22)24-12-11-23-18(21)14(3)4/h7-10,15H,1,3,11-12H2,2,4-6H3.
What are the key properties of 2-[propan-2-yl-(2-prop-1-en-2-ylphenyl)carbamoyl]oxyethyl 2-methylprop-2-enoate?
2-[propan-2-yl-(2-prop-1-en-2-ylphenyl)carbamoyl]oxyethyl 2-methylprop-2-enoate has a molecular weight of 331.41 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-(2-prop-1-en-2-ylphenyl)carbamoyl]oxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 175503672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).