benzyl N-(1-phenylpent-4-en-2-yl)carbamate

C19H21NO2 — CID 11231727

IUPACbenzyl N-(1-phenylpent-4-en-2-yl)carbamate
SMILESC=CCC(Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO2/c1-2-9-18(14-16-10-5-3-6-11-16)20-19(21)22-15-17-12-7-4-8-13-17/h2-8,10-13,18H,1,9,14-15H2,(H,20,21)
InChIKeyYLOMXEGCIFXXRW-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.10
Rot. Bonds7

About benzyl N-(1-phenylpent-4-en-2-yl)carbamate

benzyl N-(1-phenylpent-4-en-2-yl)carbamate (PubChem CID 11231727) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is benzyl N-(1-phenylpent-4-en-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-phenylpent-4-en-2-yl)carbamate
PubChem CID11231727
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Namebenzyl N-(1-phenylpent-4-en-2-yl)carbamate
SMILESC=CCC(Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO2/c1-2-9-18(14-16-10-5-3-6-11-16)20-19(21)22-15-17-12-7-4-8-13-17/h2-8,10-13,18H,1,9,14-15H2,(H,20,21)
InChIKeyYLOMXEGCIFXXRW-UHFFFAOYSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 benzyl N-(1-phenylpent-4-en-2-yl)carbamate?
The IUPAC name of benzyl N-(1-phenylpent-4-en-2-yl)carbamate (CID 11231727) is benzyl N-(1-phenylpent-4-en-2-yl)carbamate.
What is the SMILES notation for benzyl N-(1-phenylpent-4-en-2-yl)carbamate?
The canonical SMILES for benzyl N-(1-phenylpent-4-en-2-yl)carbamate is C=CCC(Cc1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(1-phenylpent-4-en-2-yl)carbamate?
The InChIKey is YLOMXEGCIFXXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-2-9-18(14-16-10-5-3-6-11-16)20-19(21)22-15-17-12-7-4-8-13-17/h2-8,10-13,18H,1,9,14-15H2,(H,20,21).
What are the key properties of benzyl N-(1-phenylpent-4-en-2-yl)carbamate?
benzyl N-(1-phenylpent-4-en-2-yl)carbamate has a molecular weight of 295.38 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-phenylpent-4-en-2-yl)carbamate is sourced from PubChem (CID 11231727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).