[4-[(1S)-1-(tert-butylcarbamoyloxy)prop-2-enyl]phenyl] N-tert-butylcarbamate

C19H28N2O4 — CID 46884724

IUPAC[4-[(1S)-1-(tert-butylcarbamoyloxy)prop-2-enyl]phenyl] N-tert-butylcarbamate
SMILESC=C[C@H](OC(=O)NC(C)(C)C)c1ccc(OC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C19H28N2O4/c1-8-15(25-17(23)21-19(5,6)7)13-9-11-14(12-10-13)24-16(22)20-18(2,3)4/h8-12,15H,1H2,2-7H3,(H,20,22)(H,21,23)/t15-/m0/s1
InChIKeyKTMGVDNVHYLLMH-HNNXBMFYSA-N
MW348.44 g/mol
LogP4.33
Rot. Bonds4

About [4-[(1S)-1-(tert-butylcarbamoyloxy)prop-2-enyl]phenyl] N-tert-butylcarbamate

[4-[(1S)-1-(tert-butylcarbamoyloxy)prop-2-enyl]phenyl] N-tert-butylcarbamate (PubChem CID 46884724) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is [4-[(1S)-1-(tert-butylcarbamoyloxy)prop-2-enyl]phenyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[4-[(1S)-1-(tert-butylcarbamoyloxy)prop-2-enyl]phenyl] N-tert-butylcarbamate
PubChem CID46884724
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name[4-[(1S)-1-(tert-butylcarbamoyloxy)prop-2-enyl]phenyl] N-tert-butylcarbamate
SMILESC=C[C@H](OC(=O)NC(C)(C)C)c1ccc(OC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C19H28N2O4/c1-8-15(25-17(23)21-19(5,6)7)13-9-11-14(12-10-13)24-16(22)20-18(2,3)4/h8-12,15H,1H2,2-7H3,(H,20,22)(H,21,23)/t15-/m0/s1
InChIKeyKTMGVDNVHYLLMH-HNNXBMFYSA-N
XLogP4.33
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(1S)-1-(tert-butylcarbamoyloxy)prop-2-enyl]phenyl] N-tert-butylcarbamate?
The IUPAC name of [4-[(1S)-1-(tert-butylcarbamoyloxy)prop-2-enyl]phenyl] N-tert-butylcarbamate (CID 46884724) is [4-[(1S)-1-(tert-butylcarbamoyloxy)prop-2-enyl]phenyl] N-tert-butylcarbamate.
What is the SMILES notation for [4-[(1S)-1-(tert-butylcarbamoyloxy)prop-2-enyl]phenyl] N-tert-butylcarbamate?
The canonical SMILES for [4-[(1S)-1-(tert-butylcarbamoyloxy)prop-2-enyl]phenyl] N-tert-butylcarbamate is C=C[C@H](OC(=O)NC(C)(C)C)c1ccc(OC(=O)NC(C)(C)C)cc1.
What is the InChIKey of [4-[(1S)-1-(tert-butylcarbamoyloxy)prop-2-enyl]phenyl] N-tert-butylcarbamate?
The InChIKey is KTMGVDNVHYLLMH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-8-15(25-17(23)21-19(5,6)7)13-9-11-14(12-10-13)24-16(22)20-18(2,3)4/h8-12,15H,1H2,2-7H3,(H,20,22)(H,21,23)/t15-/m0/s1.
What are the key properties of [4-[(1S)-1-(tert-butylcarbamoyloxy)prop-2-enyl]phenyl] N-tert-butylcarbamate?
[4-[(1S)-1-(tert-butylcarbamoyloxy)prop-2-enyl]phenyl] N-tert-butylcarbamate has a molecular weight of 348.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S)-1-(tert-butylcarbamoyloxy)prop-2-enyl]phenyl] N-tert-butylcarbamate is sourced from PubChem (CID 46884724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).