octadecyl N-(2,6-dimethylphenyl)carbamate

C27H47NO2 — CID 10002058

IUPACoctadecyl N-(2,6-dimethylphenyl)carbamate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C27H47NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-30-27(29)28-26-24(2)21-20-22-25(26)3/h20-22H,4-19,23H2,1-3H3,(H,28,29)
InChIKeyYNZYDQRYQZCRBG-UHFFFAOYSA-N
MW417.68 g/mol
LogP9.11
Rot. Bonds18

About octadecyl N-(2,6-dimethylphenyl)carbamate

octadecyl N-(2,6-dimethylphenyl)carbamate (PubChem CID 10002058) has the molecular formula C27H47NO2 and a molecular weight of 417.68 g/mol. Its IUPAC name is octadecyl N-(2,6-dimethylphenyl)carbamate.

Molecular Properties

Compound Nameoctadecyl N-(2,6-dimethylphenyl)carbamate
PubChem CID10002058
Molecular FormulaC27H47NO2
Molecular Weight417.68 g/mol
Exact Mass417.36
IUPAC Nameoctadecyl N-(2,6-dimethylphenyl)carbamate
SMILESCCCCCCCCCCCCCCCCCCOC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C27H47NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-30-27(29)28-26-24(2)21-20-22-25(26)3/h20-22H,4-19,23H2,1-3H3,(H,28,29)
InChIKeyYNZYDQRYQZCRBG-UHFFFAOYSA-N
XLogP9.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.68
LogP ≤ 59.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

pentyl N-(2,3-dimethylphenyl)carbamate
CID 67224128
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
dodecyl N-phenylcarbamate
CID 521818
butyl N-(2,6-diethylphenyl)carbamate
CID 19174090
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
2-decoxycarbonyloxyethyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium
CID 130180537
[2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-(2-nonoxycarbonyloxyethyl)azanium
CID 130180090
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]ethyl nonyl carbonate
CID 130251780
N-(2-amino-6-methylphenyl)-2-heptoxyacetamide
CID 43376791
dodecyl N-(4-hydroxyphenyl)carbamate
CID 139715223
decyl N-(4-hydroxyphenyl)carbamate
CID 139715215
3-(decoxycarbonylamino)-2-hydroxybenzoic acid
CID 19000845

Frequently Asked Questions

What is the IUPAC name of octadecyl N-(2,6-dimethylphenyl)carbamate?
The IUPAC name of octadecyl N-(2,6-dimethylphenyl)carbamate (CID 10002058) is octadecyl N-(2,6-dimethylphenyl)carbamate.
What is the SMILES notation for octadecyl N-(2,6-dimethylphenyl)carbamate?
The canonical SMILES for octadecyl N-(2,6-dimethylphenyl)carbamate is CCCCCCCCCCCCCCCCCCOC(=O)Nc1c(C)cccc1C.
What is the InChIKey of octadecyl N-(2,6-dimethylphenyl)carbamate?
The InChIKey is YNZYDQRYQZCRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H47NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-30-27(29)28-26-24(2)21-20-22-25(26)3/h20-22H,4-19,23H2,1-3H3,(H,28,29).
What are the key properties of octadecyl N-(2,6-dimethylphenyl)carbamate?
octadecyl N-(2,6-dimethylphenyl)carbamate has a molecular weight of 417.68 g/mol, XLogP of 9.11, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octadecyl N-(2,6-dimethylphenyl)carbamate is sourced from PubChem (CID 10002058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).