2-phenylethyl N-[2-(4-ethenylphenyl)propan-2-yl]carbamate

C20H23NO2 — CID 59518640

IUPAC2-phenylethyl N-[2-(4-ethenylphenyl)propan-2-yl]carbamate
SMILESC=Cc1ccc(C(C)(C)NC(=O)OCCc2ccccc2)cc1
InChIInChI=1S/C20H23NO2/c1-4-16-10-12-18(13-11-16)20(2,3)21-19(22)23-15-14-17-8-6-5-7-9-17/h4-13H,1,14-15H2,2-3H3,(H,21,22)
InChIKeyMNKYILZCRLMEGR-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.53
Rot. Bonds6

About 2-phenylethyl N-[2-(4-ethenylphenyl)propan-2-yl]carbamate

2-phenylethyl N-[2-(4-ethenylphenyl)propan-2-yl]carbamate (PubChem CID 59518640) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-phenylethyl N-[2-(4-ethenylphenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Name2-phenylethyl N-[2-(4-ethenylphenyl)propan-2-yl]carbamate
PubChem CID59518640
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name2-phenylethyl N-[2-(4-ethenylphenyl)propan-2-yl]carbamate
SMILESC=Cc1ccc(C(C)(C)NC(=O)OCCc2ccccc2)cc1
InChIInChI=1S/C20H23NO2/c1-4-16-10-12-18(13-11-16)20(2,3)21-19(22)23-15-14-17-8-6-5-7-9-17/h4-13H,1,14-15H2,2-3H3,(H,21,22)
InChIKeyMNKYILZCRLMEGR-UHFFFAOYSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-sulfanylethyl N-(2-phenylpropan-2-yl)carbamate
CID 88875751
2-(4-ethenylphenyl)ethyl 2,2-difluoroacetate
CID 154622094
2-(4-ethenylphenyl)ethyl prop-2-enoate
CID 163299720
4-[2-[3-[2-(2-prop-2-enoyloxyethoxycarbonylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]butyl prop-2-enoate
CID 122597569
2-phenylethyl N-propan-2-ylcarbamate
CID 23548887
2-[4-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]phenyl]ethyl N-[2-(4-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 89029395
2-phenylethyl N-carbamoylcarbamate
CID 3027882
2-[4-(hydroxymethyl)phenyl]ethyl N-tert-butylcarbamate
CID 90775428
2-phenylethyl acetate
CID 7654
3-[2-[3-[2-(propoxycarbonylamino)propan-2-yl]phenyl]propan-2-ylcarbamoyloxy]propyl N-benzylcarbamate
CID 122598408
2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11851409
2-phenylethyl 2,3,3-trimethylbutanoate
CID 118040086

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl N-[2-(4-ethenylphenyl)propan-2-yl]carbamate?
The IUPAC name of 2-phenylethyl N-[2-(4-ethenylphenyl)propan-2-yl]carbamate (CID 59518640) is 2-phenylethyl N-[2-(4-ethenylphenyl)propan-2-yl]carbamate.
What is the SMILES notation for 2-phenylethyl N-[2-(4-ethenylphenyl)propan-2-yl]carbamate?
The canonical SMILES for 2-phenylethyl N-[2-(4-ethenylphenyl)propan-2-yl]carbamate is C=Cc1ccc(C(C)(C)NC(=O)OCCc2ccccc2)cc1.
What is the InChIKey of 2-phenylethyl N-[2-(4-ethenylphenyl)propan-2-yl]carbamate?
The InChIKey is MNKYILZCRLMEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-4-16-10-12-18(13-11-16)20(2,3)21-19(22)23-15-14-17-8-6-5-7-9-17/h4-13H,1,14-15H2,2-3H3,(H,21,22).
What are the key properties of 2-phenylethyl N-[2-(4-ethenylphenyl)propan-2-yl]carbamate?
2-phenylethyl N-[2-(4-ethenylphenyl)propan-2-yl]carbamate has a molecular weight of 309.41 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl N-[2-(4-ethenylphenyl)propan-2-yl]carbamate is sourced from PubChem (CID 59518640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).