ethyl (Z)-3-[di(propan-2-yl)carbamoyloxy]-3-phenylprop-2-enoate

C18H25NO4 — CID 138972952

IUPACethyl (Z)-3-[di(propan-2-yl)carbamoyloxy]-3-phenylprop-2-enoate
SMILESCCOC(=O)/C=C(\OC(=O)N(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C18H25NO4/c1-6-22-17(20)12-16(15-10-8-7-9-11-15)23-18(21)19(13(2)3)14(4)5/h7-14H,6H2,1-5H3/b16-12-
InChIKeyRJJOEOYZPLYCRA-VBKFSLOCSA-N
MW319.40 g/mol
LogP3.85
Rot. Bonds6

About ethyl (Z)-3-[di(propan-2-yl)carbamoyloxy]-3-phenylprop-2-enoate

ethyl (Z)-3-[di(propan-2-yl)carbamoyloxy]-3-phenylprop-2-enoate (PubChem CID 138972952) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is ethyl (Z)-3-[di(propan-2-yl)carbamoyloxy]-3-phenylprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-[di(propan-2-yl)carbamoyloxy]-3-phenylprop-2-enoate
PubChem CID138972952
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Nameethyl (Z)-3-[di(propan-2-yl)carbamoyloxy]-3-phenylprop-2-enoate
SMILESCCOC(=O)/C=C(\OC(=O)N(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C18H25NO4/c1-6-22-17(20)12-16(15-10-8-7-9-11-15)23-18(21)19(13(2)3)14(4)5/h7-14H,6H2,1-5H3/b16-12-
InChIKeyRJJOEOYZPLYCRA-VBKFSLOCSA-N
XLogP3.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-methoxy-3-phenylprop-2-enoate
CID 68584261
[(Z,3R)-5,5-dimethyl-4-oxo-1,3-diphenylhex-1-enyl] N,N-di(propan-2-yl)carbamate
CID 11774513
ethyl (E)-3-phenyl-3-[[(1R)-1-phenylethyl]amino]prop-2-enoate
CID 15456276
5-ethoxy-5-oxo-3-phenylpent-3-enoic acid
CID 70049412
ethyl 3-phenyl-3-pyridin-4-ylprop-2-enoate
CID 54507534
ethyl (Z)-3-[[(1R)-1-phenylethyl]amino]pent-2-enoate
CID 11218857
ethyl 3-(methylamino)-3-phenylprop-2-enoate
CID 58005139
[(Z)-3-benzoyloxy-1-ethoxy-3-phenylprop-2-enylidene]chromium
CID 11038038
ethyl (Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 10967969
ethyl 3-(4-methoxyphenyl)-3-phenylprop-2-enoate
CID 85223132
ethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate
CID 11414453
ethyl (Z)-4-(dichloroamino)-4-oxo-3-phenylbut-2-enoate
CID 139808760

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-[di(propan-2-yl)carbamoyloxy]-3-phenylprop-2-enoate?
The IUPAC name of ethyl (Z)-3-[di(propan-2-yl)carbamoyloxy]-3-phenylprop-2-enoate (CID 138972952) is ethyl (Z)-3-[di(propan-2-yl)carbamoyloxy]-3-phenylprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-[di(propan-2-yl)carbamoyloxy]-3-phenylprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-[di(propan-2-yl)carbamoyloxy]-3-phenylprop-2-enoate is CCOC(=O)/C=C(\OC(=O)N(C(C)C)C(C)C)c1ccccc1.
What is the InChIKey of ethyl (Z)-3-[di(propan-2-yl)carbamoyloxy]-3-phenylprop-2-enoate?
The InChIKey is RJJOEOYZPLYCRA-VBKFSLOCSA-N. The full InChI is InChI=1S/C18H25NO4/c1-6-22-17(20)12-16(15-10-8-7-9-11-15)23-18(21)19(13(2)3)14(4)5/h7-14H,6H2,1-5H3/b16-12-.
What are the key properties of ethyl (Z)-3-[di(propan-2-yl)carbamoyloxy]-3-phenylprop-2-enoate?
ethyl (Z)-3-[di(propan-2-yl)carbamoyloxy]-3-phenylprop-2-enoate has a molecular weight of 319.40 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-[di(propan-2-yl)carbamoyloxy]-3-phenylprop-2-enoate is sourced from PubChem (CID 138972952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).