benzyl N-[(E,2S)-4-phenylbut-3-en-2-yl]carbamate

C18H19NO2 — CID 101212633

IUPACbenzyl N-[(E,2S)-4-phenylbut-3-en-2-yl]carbamate
SMILESC[C@@H](/C=C/c1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H19NO2/c1-15(12-13-16-8-4-2-5-9-16)19-18(20)21-14-17-10-6-3-7-11-17/h2-13,15H,14H2,1H3,(H,19,20)/b13-12+/t15-/m0/s1
InChIKeyFUJBLECUANWUNI-LHNRBYRGSA-N
MW281.36 g/mol
LogP4.01
Rot. Bonds5

About benzyl N-[(E,2S)-4-phenylbut-3-en-2-yl]carbamate

benzyl N-[(E,2S)-4-phenylbut-3-en-2-yl]carbamate (PubChem CID 101212633) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is benzyl N-[(E,2S)-4-phenylbut-3-en-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(E,2S)-4-phenylbut-3-en-2-yl]carbamate
PubChem CID101212633
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Namebenzyl N-[(E,2S)-4-phenylbut-3-en-2-yl]carbamate
SMILESC[C@@H](/C=C/c1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H19NO2/c1-15(12-13-16-8-4-2-5-9-16)19-18(20)21-14-17-10-6-3-7-11-17/h2-13,15H,14H2,1H3,(H,19,20)/b13-12+/t15-/m0/s1
InChIKeyFUJBLECUANWUNI-LHNRBYRGSA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 244143
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CID 643495
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benzyl N-(2-hydroxyethyl)carbamate
CID 280458
benzyl N-methylcarbamate
CID 562265
Benzyl 1-phenylethylcarbamate
CID 9837961
N-carbobenzoxy-L-phenylalanilol
CID 853481
Carbamic acid, N-(1-benzyl-2-hydroxyethyl)-, benzyl ester
CID 52361
benzyl N-(2-bromoethyl)carbamate
CID 278694
benzyl N-((2S)-1-hydroxypropan-2-yl)carbamate
CID 10262499
benzyl N-((2S)-1-hydroxybutan-2-yl)carbamate
CID 10263004
Cbz-L-Phenylalaninal
CID 7021150

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(E,2S)-4-phenylbut-3-en-2-yl]carbamate?
The IUPAC name of benzyl N-[(E,2S)-4-phenylbut-3-en-2-yl]carbamate (CID 101212633) is benzyl N-[(E,2S)-4-phenylbut-3-en-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(E,2S)-4-phenylbut-3-en-2-yl]carbamate?
The canonical SMILES for benzyl N-[(E,2S)-4-phenylbut-3-en-2-yl]carbamate is C[C@@H](/C=C/c1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(E,2S)-4-phenylbut-3-en-2-yl]carbamate?
The InChIKey is FUJBLECUANWUNI-LHNRBYRGSA-N. The full InChI is InChI=1S/C18H19NO2/c1-15(12-13-16-8-4-2-5-9-16)19-18(20)21-14-17-10-6-3-7-11-17/h2-13,15H,14H2,1H3,(H,19,20)/b13-12+/t15-/m0/s1.
What are the key properties of benzyl N-[(E,2S)-4-phenylbut-3-en-2-yl]carbamate?
benzyl N-[(E,2S)-4-phenylbut-3-en-2-yl]carbamate has a molecular weight of 281.36 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(E,2S)-4-phenylbut-3-en-2-yl]carbamate is sourced from PubChem (CID 101212633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).