tert-butyl N-(4-phenylhept-6-en-2-yl)carbamate

C18H27NO2 — CID 141150308

IUPACtert-butyl N-(4-phenylhept-6-en-2-yl)carbamate
SMILESC=CCC(CC(C)NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-6-10-16(15-11-8-7-9-12-15)13-14(2)19-17(20)21-18(3,4)5/h6-9,11-12,14,16H,1,10,13H2,2-5H3,(H,19,20)
InChIKeyGPCOOLVOMHOOCI-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.65
Rot. Bonds6

About tert-butyl N-(4-phenylhept-6-en-2-yl)carbamate

tert-butyl N-(4-phenylhept-6-en-2-yl)carbamate (PubChem CID 141150308) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is tert-butyl N-(4-phenylhept-6-en-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-phenylhept-6-en-2-yl)carbamate
PubChem CID141150308
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Nametert-butyl N-(4-phenylhept-6-en-2-yl)carbamate
SMILESC=CCC(CC(C)NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-6-10-16(15-11-8-7-9-12-15)13-14(2)19-17(20)21-18(3,4)5/h6-9,11-12,14,16H,1,10,13H2,2-5H3,(H,19,20)
InChIKeyGPCOOLVOMHOOCI-UHFFFAOYSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(1S,3S)-3-hydroxy-1-phenylhex-5-enyl]carbamate
CID 102420533
tert-butyl N-(4-hydroxyhept-6-en-2-yl)carbamate
CID 541819
tert-butyl N-(3-hydroxy-1,1-diphenylhex-5-en-2-yl)carbamate
CID 19420331
tert-butyl N-(1-phenylbut-3-enoxy)carbamate
CID 11173083
1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
CID 175560778
bis(prop-2-enyl) 2-[(S)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]propanedioate
CID 23659168
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
tert-butyl N-[(1R)-1,4-diphenylbut-3-enyl]carbamate
CID 148820696
tert-butyl N-[(1S,2S)-2-hydroxy-1-phenylhex-5-enyl]carbamate
CID 45073699
tert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate
CID 97086612
3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoic acid
CID 53397925
[4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentan-2-yl]carbamic acid
CID 69442567

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-phenylhept-6-en-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-phenylhept-6-en-2-yl)carbamate (CID 141150308) is tert-butyl N-(4-phenylhept-6-en-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-phenylhept-6-en-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-phenylhept-6-en-2-yl)carbamate is C=CCC(CC(C)NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-(4-phenylhept-6-en-2-yl)carbamate?
The InChIKey is GPCOOLVOMHOOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-6-10-16(15-11-8-7-9-12-15)13-14(2)19-17(20)21-18(3,4)5/h6-9,11-12,14,16H,1,10,13H2,2-5H3,(H,19,20).
What are the key properties of tert-butyl N-(4-phenylhept-6-en-2-yl)carbamate?
tert-butyl N-(4-phenylhept-6-en-2-yl)carbamate has a molecular weight of 289.42 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-phenylhept-6-en-2-yl)carbamate is sourced from PubChem (CID 141150308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).