tert-butyl N-[(2-prop-2-enoxyphenyl)methyl]-N-prop-2-enylcarbamate

C18H25NO3 — CID 132608817

IUPACtert-butyl N-[(2-prop-2-enoxyphenyl)methyl]-N-prop-2-enylcarbamate
SMILESC=CCOc1ccccc1CN(CC=C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H25NO3/c1-6-12-19(17(20)22-18(3,4)5)14-15-10-8-9-11-16(15)21-13-7-2/h6-11H,1-2,12-14H2,3-5H3
InChIKeyIXVLANCCEWECPQ-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.17
Rot. Bonds7

About tert-butyl N-[(2-prop-2-enoxyphenyl)methyl]-N-prop-2-enylcarbamate

tert-butyl N-[(2-prop-2-enoxyphenyl)methyl]-N-prop-2-enylcarbamate (PubChem CID 132608817) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is tert-butyl N-[(2-prop-2-enoxyphenyl)methyl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-prop-2-enoxyphenyl)methyl]-N-prop-2-enylcarbamate
PubChem CID132608817
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Nametert-butyl N-[(2-prop-2-enoxyphenyl)methyl]-N-prop-2-enylcarbamate
SMILESC=CCOc1ccccc1CN(CC=C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H25NO3/c1-6-12-19(17(20)22-18(3,4)5)14-15-10-8-9-11-16(15)21-13-7-2/h6-11H,1-2,12-14H2,3-5H3
InChIKeyIXVLANCCEWECPQ-UHFFFAOYSA-N
XLogP4.17
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(2-prop-2-enoxyphenyl)methyl]-N-prop-2-enylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]methyl]phenyl] but-3-enoate
CID 11301990
2-chloro-N-[(2-ethoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 39366816
tert-butyl N-[(2-prop-2-enoxyphenyl)methylamino]carbamate
CID 107236651
tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]-N-prop-2-enylcarbamate
CID 101196840
N-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]-2-pyridin-2-ylacetamide
CID 46999749
(2-prop-2-enoxyphenyl)methanol
CID 11137475
bis[(2-prop-2-enoxyphenyl)methyl] carbonate
CID 129103920
N-[(2-prop-2-enoxyphenyl)methyl]ethanamine
CID 11988163
2-methyl-N-[(2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 7937412
N-ethyl-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
CID 50961309
tert-butyl N-[(2S)-3-phenylmethoxy-2-prop-2-enoxypropyl]-N-prop-2-enylcarbamate
CID 171841242
tert-butyl N-[2-(chloromethyl)prop-2-enyl]-N-prop-2-enylcarbamate
CID 102520805

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-prop-2-enoxyphenyl)methyl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[(2-prop-2-enoxyphenyl)methyl]-N-prop-2-enylcarbamate (CID 132608817) is tert-butyl N-[(2-prop-2-enoxyphenyl)methyl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[(2-prop-2-enoxyphenyl)methyl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[(2-prop-2-enoxyphenyl)methyl]-N-prop-2-enylcarbamate is C=CCOc1ccccc1CN(CC=C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2-prop-2-enoxyphenyl)methyl]-N-prop-2-enylcarbamate?
The InChIKey is IXVLANCCEWECPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-6-12-19(17(20)22-18(3,4)5)14-15-10-8-9-11-16(15)21-13-7-2/h6-11H,1-2,12-14H2,3-5H3.
What are the key properties of tert-butyl N-[(2-prop-2-enoxyphenyl)methyl]-N-prop-2-enylcarbamate?
tert-butyl N-[(2-prop-2-enoxyphenyl)methyl]-N-prop-2-enylcarbamate has a molecular weight of 303.40 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-prop-2-enoxyphenyl)methyl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 132608817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).