2-(2-methylprop-2-enoyloxy)ethyl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid

C19H25NO4 — CID 54099943

IUPAC2-(2-methylprop-2-enoyloxy)ethyl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid
SMILESC=C(C)C(=O)OCCN(C(=O)O)C(C)(C)c1cccc(C(=C)C)c1
InChIInChI=1S/C19H25NO4/c1-13(2)15-8-7-9-16(12-15)19(5,6)20(18(22)23)10-11-24-17(21)14(3)4/h7-9,12H,1,3,10-11H2,2,4-6H3,(H,22,23)
InChIKeyMZVVMMBLBJRBFN-UHFFFAOYSA-N
MW331.41 g/mol
LogP4.05
Rot. Bonds7

About 2-(2-methylprop-2-enoyloxy)ethyl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid

2-(2-methylprop-2-enoyloxy)ethyl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid (PubChem CID 54099943) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)ethyl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)ethyl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid
PubChem CID54099943
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name2-(2-methylprop-2-enoyloxy)ethyl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid
SMILESC=C(C)C(=O)OCCN(C(=O)O)C(C)(C)c1cccc(C(=C)C)c1
InChIInChI=1S/C19H25NO4/c1-13(2)15-8-7-9-16(12-15)19(5,6)20(18(22)23)10-11-24-17(21)14(3)4/h7-9,12H,1,3,10-11H2,2,4-6H3,(H,22,23)
InChIKeyMZVVMMBLBJRBFN-UHFFFAOYSA-N
XLogP4.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-1-en-2-yl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid
CID 67918073
3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid
CID 22572510
benzoic acid;2-hydroxyethyl 2-methylprop-2-enoate
CID 160874005
2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 22967201
[(4-tert-butylperoxy-4-methylpentan-2-yl)oxycarbonyl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]amino] 2-methylprop-2-enoate
CID 175543117
4-(2-phenylpropan-2-ylsulfanyl)butyl 2-methylprop-2-enoate
CID 66643500
(2-hydroxy-2-phenylpropyl) 2-methylprop-2-enoate
CID 122518351
(4,4-dihydroxy-3-methyl-4-phenylbutyl) 2-methylprop-2-enoate
CID 150252991
2-(2-phenylpropan-2-ylamino)ethyl 2-methylprop-2-enoate;hydrochloride
CID 173000095
2,2-bis(2-methylprop-2-enoyloxymethyl)butyl 2-methylprop-2-enoate;2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;prop-1-en-2-ylbenzene
CID 67914765
[2-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]-3-[2-(4-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxy]propyl] 2-methylprop-2-enoate
CID 139759670
1-(1,1-difluoroethyl)-3-prop-1-en-2-ylbenzene
CID 134569595

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid (CID 54099943) is 2-(2-methylprop-2-enoyloxy)ethyl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)ethyl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)ethyl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid is C=C(C)C(=O)OCCN(C(=O)O)C(C)(C)c1cccc(C(=C)C)c1.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)ethyl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid?
The InChIKey is MZVVMMBLBJRBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-13(2)15-8-7-9-16(12-15)19(5,6)20(18(22)23)10-11-24-17(21)14(3)4/h7-9,12H,1,3,10-11H2,2,4-6H3,(H,22,23).
What are the key properties of 2-(2-methylprop-2-enoyloxy)ethyl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid?
2-(2-methylprop-2-enoyloxy)ethyl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid has a molecular weight of 331.41 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)ethyl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid is sourced from PubChem (CID 54099943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).