tert-butyl N-pent-4-enyl-N-[(1R)-1-phenylethyl]carbamate

C18H27NO2 — CID 11119794

IUPACtert-butyl N-pent-4-enyl-N-[(1R)-1-phenylethyl]carbamate
SMILESC=CCCCN(C(=O)OC(C)(C)C)[C@H](C)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-6-7-11-14-19(17(20)21-18(3,4)5)15(2)16-12-9-8-10-13-16/h6,8-10,12-13,15H,1,7,11,14H2,2-5H3/t15-/m1/s1
InChIKeyCWMPLJWGIBSZDI-OAHLLOKOSA-N
MW289.42 g/mol
LogP4.95
Rot. Bonds6

About tert-butyl N-pent-4-enyl-N-[(1R)-1-phenylethyl]carbamate

tert-butyl N-pent-4-enyl-N-[(1R)-1-phenylethyl]carbamate (PubChem CID 11119794) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is tert-butyl N-pent-4-enyl-N-[(1R)-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-pent-4-enyl-N-[(1R)-1-phenylethyl]carbamate
PubChem CID11119794
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Nametert-butyl N-pent-4-enyl-N-[(1R)-1-phenylethyl]carbamate
SMILESC=CCCCN(C(=O)OC(C)(C)C)[C@H](C)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-6-7-11-14-19(17(20)21-18(3,4)5)15(2)16-12-9-8-10-13-16/h6,8-10,12-13,15H,1,7,11,14H2,2-5H3/t15-/m1/s1
InChIKeyCWMPLJWGIBSZDI-OAHLLOKOSA-N
XLogP4.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-pent-4-enyl-N-[(1R)-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-pent-4-enyl-N-[(1R)-1-phenylethyl]carbamate (CID 11119794) is tert-butyl N-pent-4-enyl-N-[(1R)-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-pent-4-enyl-N-[(1R)-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-pent-4-enyl-N-[(1R)-1-phenylethyl]carbamate is C=CCCCN(C(=O)OC(C)(C)C)[C@H](C)c1ccccc1.
What is the InChIKey of tert-butyl N-pent-4-enyl-N-[(1R)-1-phenylethyl]carbamate?
The InChIKey is CWMPLJWGIBSZDI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27NO2/c1-6-7-11-14-19(17(20)21-18(3,4)5)15(2)16-12-9-8-10-13-16/h6,8-10,12-13,15H,1,7,11,14H2,2-5H3/t15-/m1/s1.
What are the key properties of tert-butyl N-pent-4-enyl-N-[(1R)-1-phenylethyl]carbamate?
tert-butyl N-pent-4-enyl-N-[(1R)-1-phenylethyl]carbamate has a molecular weight of 289.42 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-pent-4-enyl-N-[(1R)-1-phenylethyl]carbamate is sourced from PubChem (CID 11119794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).