(4-butoxyphenyl) N-(2,6-diethylphenyl)carbamate

C21H27NO3 — CID 3423287

IUPAC(4-butoxyphenyl) N-(2,6-diethylphenyl)carbamate
SMILESCCCCOc1ccc(OC(=O)Nc2c(CC)cccc2CC)cc1
InChIInChI=1S/C21H27NO3/c1-4-7-15-24-18-11-13-19(14-12-18)25-21(23)22-20-16(5-2)9-8-10-17(20)6-3/h8-14H,4-7,15H2,1-3H3,(H,22,23)
InChIKeyBXZDVAADNJDWCS-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.60
Rot. Bonds8

About (4-butoxyphenyl) N-(2,6-diethylphenyl)carbamate

(4-butoxyphenyl) N-(2,6-diethylphenyl)carbamate (PubChem CID 3423287) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is (4-butoxyphenyl) N-(2,6-diethylphenyl)carbamate.

Molecular Properties

Compound Name(4-butoxyphenyl) N-(2,6-diethylphenyl)carbamate
PubChem CID3423287
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name(4-butoxyphenyl) N-(2,6-diethylphenyl)carbamate
SMILESCCCCOc1ccc(OC(=O)Nc2c(CC)cccc2CC)cc1
InChIInChI=1S/C21H27NO3/c1-4-7-15-24-18-11-13-19(14-12-18)25-21(23)22-20-16(5-2)9-8-10-17(20)6-3/h8-14H,4-7,15H2,1-3H3,(H,22,23)
InChIKeyBXZDVAADNJDWCS-UHFFFAOYSA-N
XLogP5.60
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl N-(2,6-diethylphenyl)carbamate
CID 19174090
N-(2,6-diethylphenyl)-4-(4-ethylphenoxy)butanamide
CID 19174107
(E)-3-(4-butoxyphenyl)-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide
CID 19175266
butyl 4-[2-(2,6-diethylanilino)-2-oxoethoxy]benzoate
CID 7984493
(4-docosoxyphenyl) N-methylcarbamate
CID 172715138
(4-butoxyphenyl) N-(4-methylsulfanylphenyl)carbamate
CID 4525207
1-(2,6-diethylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874290
2,2,2-trifluoroethyl N-(2,6-diethylphenyl)carbamate
CID 39871495
N-(2-ethyl-6-methylphenyl)-4-(4-methoxyphenoxy)butanamide
CID 7783546
N-(2,6-diethylphenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28635770
acetic acid;butoxybenzene
CID 162338086
2-(4-acetamidophenoxy)-N-(2,6-diethylphenyl)acetamide
CID 2606243

Frequently Asked Questions

What is the IUPAC name of (4-butoxyphenyl) N-(2,6-diethylphenyl)carbamate?
The IUPAC name of (4-butoxyphenyl) N-(2,6-diethylphenyl)carbamate (CID 3423287) is (4-butoxyphenyl) N-(2,6-diethylphenyl)carbamate.
What is the SMILES notation for (4-butoxyphenyl) N-(2,6-diethylphenyl)carbamate?
The canonical SMILES for (4-butoxyphenyl) N-(2,6-diethylphenyl)carbamate is CCCCOc1ccc(OC(=O)Nc2c(CC)cccc2CC)cc1.
What is the InChIKey of (4-butoxyphenyl) N-(2,6-diethylphenyl)carbamate?
The InChIKey is BXZDVAADNJDWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-4-7-15-24-18-11-13-19(14-12-18)25-21(23)22-20-16(5-2)9-8-10-17(20)6-3/h8-14H,4-7,15H2,1-3H3,(H,22,23).
What are the key properties of (4-butoxyphenyl) N-(2,6-diethylphenyl)carbamate?
(4-butoxyphenyl) N-(2,6-diethylphenyl)carbamate has a molecular weight of 341.45 g/mol, XLogP of 5.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxyphenyl) N-(2,6-diethylphenyl)carbamate is sourced from PubChem (CID 3423287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).