(3-pentadeca-8,11-dienylphenyl) N-naphthalen-1-ylcarbamate

C32H39NO2 — CID 4029172

IUPAC(3-pentadeca-8,11-dienylphenyl) N-naphthalen-1-ylcarbamate
SMILESCCCC=CCC=CCCCCCCCc1cccc(OC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C32H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-27-20-17-23-29(26-27)35-32(34)33-31-25-18-22-28-21-15-16-24-30(28)31/h4-5,7-8,15-18,20-26H,2-3,6,9-14,19H2,1H3,(H,33,34)
InChIKeyMTUROSZIEFCQGM-UHFFFAOYSA-N
MW469.67 g/mol
LogP9.64
Rot. Bonds14

About (3-pentadeca-8,11-dienylphenyl) N-naphthalen-1-ylcarbamate

(3-pentadeca-8,11-dienylphenyl) N-naphthalen-1-ylcarbamate (PubChem CID 4029172) has the molecular formula C32H39NO2 and a molecular weight of 469.67 g/mol. Its IUPAC name is (3-pentadeca-8,11-dienylphenyl) N-naphthalen-1-ylcarbamate.

Molecular Properties

Compound Name(3-pentadeca-8,11-dienylphenyl) N-naphthalen-1-ylcarbamate
PubChem CID4029172
Molecular FormulaC32H39NO2
Molecular Weight469.67 g/mol
Exact Mass469.30
IUPAC Name(3-pentadeca-8,11-dienylphenyl) N-naphthalen-1-ylcarbamate
SMILESCCCC=CCC=CCCCCCCCc1cccc(OC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C32H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-27-20-17-23-29(26-27)35-32(34)33-31-25-18-22-28-21-15-16-24-30(28)31/h4-5,7-8,15-18,20-26H,2-3,6,9-14,19H2,1H3,(H,33,34)
InChIKeyMTUROSZIEFCQGM-UHFFFAOYSA-N
XLogP9.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.67
LogP ≤ 59.64
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

[(8E,11E)-pentadeca-8,11-dienyl]benzene
CID 173434381
(3-pentylphenyl) octanoate;hydrobromide
CID 174977807
(3-octylphenyl) N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
CID 101298579
2-[(E)-dodec-5-enyl]naphthalene
CID 101304407
2-[(E)-henicos-13-enyl]naphthalene
CID 101307743
2-[(E)-docos-6-enyl]naphthalene
CID 101307769
2-[(E)-docos-17-enyl]naphthalene
CID 101307791
[3-(5-oxopentyl)phenyl] propanoate
CID 54228537
N-[(3-methoxyphenyl)methyl]octadec-9-enamide
CID 86237122
19-[3-(18-carboxyoctadeca-7,10-dienyl)phenyl]nonadeca-9,12-dienoic acid
CID 175906228
2-[[3-[(E)-dodec-8-enyl]phenoxy]methyl]-2-methyloxirane
CID 101312784
2-[(E)-pentadec-12-enyl]naphthalene
CID 101307544

Frequently Asked Questions

What is the IUPAC name of (3-pentadeca-8,11-dienylphenyl) N-naphthalen-1-ylcarbamate?
The IUPAC name of (3-pentadeca-8,11-dienylphenyl) N-naphthalen-1-ylcarbamate (CID 4029172) is (3-pentadeca-8,11-dienylphenyl) N-naphthalen-1-ylcarbamate.
What is the SMILES notation for (3-pentadeca-8,11-dienylphenyl) N-naphthalen-1-ylcarbamate?
The canonical SMILES for (3-pentadeca-8,11-dienylphenyl) N-naphthalen-1-ylcarbamate is CCCC=CCC=CCCCCCCCc1cccc(OC(=O)Nc2cccc3ccccc23)c1.
What is the InChIKey of (3-pentadeca-8,11-dienylphenyl) N-naphthalen-1-ylcarbamate?
The InChIKey is MTUROSZIEFCQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-27-20-17-23-29(26-27)35-32(34)33-31-25-18-22-28-21-15-16-24-30(28)31/h4-5,7-8,15-18,20-26H,2-3,6,9-14,19H2,1H3,(H,33,34).
What are the key properties of (3-pentadeca-8,11-dienylphenyl) N-naphthalen-1-ylcarbamate?
(3-pentadeca-8,11-dienylphenyl) N-naphthalen-1-ylcarbamate has a molecular weight of 469.67 g/mol, XLogP of 9.64, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pentadeca-8,11-dienylphenyl) N-naphthalen-1-ylcarbamate is sourced from PubChem (CID 4029172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).