dec-9-enyl N-(1-phenylethyl)carbamate

C19H29NO2 — CID 596192

IUPACdec-9-enyl N-(1-phenylethyl)carbamate
SMILESC=CCCCCCCCCOC(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H29NO2/c1-3-4-5-6-7-8-9-13-16-22-19(21)20-17(2)18-14-11-10-12-15-18/h3,10-12,14-15,17H,1,4-9,13,16H2,2H3,(H,20,21)
InChIKeyJSMWQVJQAWYZNS-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.39
Rot. Bonds11

About dec-9-enyl N-(1-phenylethyl)carbamate

dec-9-enyl N-(1-phenylethyl)carbamate (PubChem CID 596192) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is dec-9-enyl N-(1-phenylethyl)carbamate.

Molecular Properties

Compound Namedec-9-enyl N-(1-phenylethyl)carbamate
PubChem CID596192
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Namedec-9-enyl N-(1-phenylethyl)carbamate
SMILESC=CCCCCCCCCOC(=O)NC(C)c1ccccc1
InChIInChI=1S/C19H29NO2/c1-3-4-5-6-7-8-9-13-16-22-19(21)20-17(2)18-14-11-10-12-15-18/h3,10-12,14-15,17H,1,4-9,13,16H2,2H3,(H,20,21)
InChIKeyJSMWQVJQAWYZNS-UHFFFAOYSA-N
XLogP5.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.39
H-Bond Donors ≤ 51
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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Related Compounds

butyl N-(1-phenylethyl)carbamate
CID 571821
22-[[(1S)-1-phenylethyl]carbamoyloxy]docosa-10,12-diynyl N-[(1S)-1-phenylethyl]carbamate
CID 100958213
undec-10-enyl 2-(butoxycarbonylamino)propanoate
CID 6423167
3,7-dimethyloct-6-enyl N-(1-phenylethyl)carbamate
CID 146442229
undec-10-enyl 2-(2-methylpropoxycarbonylamino)propanoate
CID 6423188
undec-10-enyl (2S)-2-(2-methylpropoxycarbonylamino)propanoate
CID 20837026
2-(hex-5-enoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 75113125
undec-10-enyl 2-[(2-fluorobenzoyl)amino]propanoate
CID 6424547
undec-10-enyl 2-[(2-bromobenzoyl)amino]propanoate
CID 6425548
dec-9-enyl phenyl carbonate
CID 90888843
N,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
undec-10-enyl (2S)-3-methyl-2-(propoxycarbonylamino)pentanoate
CID 20837345

Frequently Asked Questions

What is the IUPAC name of dec-9-enyl N-(1-phenylethyl)carbamate?
The IUPAC name of dec-9-enyl N-(1-phenylethyl)carbamate (CID 596192) is dec-9-enyl N-(1-phenylethyl)carbamate.
What is the SMILES notation for dec-9-enyl N-(1-phenylethyl)carbamate?
The canonical SMILES for dec-9-enyl N-(1-phenylethyl)carbamate is C=CCCCCCCCCOC(=O)NC(C)c1ccccc1.
What is the InChIKey of dec-9-enyl N-(1-phenylethyl)carbamate?
The InChIKey is JSMWQVJQAWYZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-3-4-5-6-7-8-9-13-16-22-19(21)20-17(2)18-14-11-10-12-15-18/h3,10-12,14-15,17H,1,4-9,13,16H2,2H3,(H,20,21).
What are the key properties of dec-9-enyl N-(1-phenylethyl)carbamate?
dec-9-enyl N-(1-phenylethyl)carbamate has a molecular weight of 303.45 g/mol, XLogP of 5.39, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dec-9-enyl N-(1-phenylethyl)carbamate is sourced from PubChem (CID 596192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).