benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate

C19H21NO2 — CID 102443361

IUPACbenzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO2/c1-2-14-20(15-13-17-9-5-3-6-10-17)19(21)22-16-18-11-7-4-8-12-18/h2-12H,1,13-16H2
InChIKeyMEUXMPNSXBFUQE-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.05
Rot. Bonds7

About benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate

benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate (PubChem CID 102443361) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Namebenzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate
PubChem CID102443361
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Namebenzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate
SMILESC=CCN(CCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO2/c1-2-14-20(15-13-17-9-5-3-6-10-17)19(21)22-16-18-11-7-4-8-12-18/h2-12H,1,13-16H2
InChIKeyMEUXMPNSXBFUQE-UHFFFAOYSA-N
XLogP4.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[phenylmethoxycarbonyl(prop-2-enyl)amino]propanoate
CID 89387456
benzyl N-[(3R)-3-phenylpent-4-enyl]-N-prop-2-enylcarbamate
CID 102188161
benzyl N-(cyclopropen-1-ylmethyl)-N-prop-2-enylcarbamate
CID 143655174
benzyl N-(2-phenylethyl)-N-propylcarbamate
CID 141214561
3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305396
(2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305394
3-amino-N-(2-phenylethyl)-N-prop-2-enylbutanamide
CID 119752351
2-[phenylmethoxycarbonyl(prop-2-enyl)amino]pent-4-enoic acid
CID 70560265
3-[but-3-enyl(phenylmethoxycarbonyl)amino]propanoic acid
CID 101472083
2,6-difluoro-N-(2-phenylethyl)-N-prop-2-enylbenzamide
CID 86857535
N,N-bis(2-phenylethyl)prop-2-enamide
CID 57066259
benzyl N,N-bis(2-hydroxyethyl)carbamate
CID 23498447

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate?
The IUPAC name of benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate (CID 102443361) is benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate.
What is the SMILES notation for benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate?
The canonical SMILES for benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate is C=CCN(CCc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate?
The InChIKey is MEUXMPNSXBFUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-2-14-20(15-13-17-9-5-3-6-10-17)19(21)22-16-18-11-7-4-8-12-18/h2-12H,1,13-16H2.
What are the key properties of benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate?
benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate has a molecular weight of 295.38 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 102443361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).