[4-tert-butyl-2-(diethylcarbamoyl)phenyl] N,N-diethylcarbamate

C20H32N2O3 — CID 122517612

IUPAC[4-tert-butyl-2-(diethylcarbamoyl)phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(C(C)(C)C)cc1C(=O)N(CC)CC
InChIInChI=1S/C20H32N2O3/c1-8-21(9-2)18(23)16-14-15(20(5,6)7)12-13-17(16)25-19(24)22(10-3)11-4/h12-14H,8-11H2,1-7H3
InChIKeyDBQISOKNPVIEFU-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.31
Rot. Bonds6

About [4-tert-butyl-2-(diethylcarbamoyl)phenyl] N,N-diethylcarbamate

[4-tert-butyl-2-(diethylcarbamoyl)phenyl] N,N-diethylcarbamate (PubChem CID 122517612) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is [4-tert-butyl-2-(diethylcarbamoyl)phenyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[4-tert-butyl-2-(diethylcarbamoyl)phenyl] N,N-diethylcarbamate
PubChem CID122517612
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name[4-tert-butyl-2-(diethylcarbamoyl)phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1ccc(C(C)(C)C)cc1C(=O)N(CC)CC
InChIInChI=1S/C20H32N2O3/c1-8-21(9-2)18(23)16-14-15(20(5,6)7)12-13-17(16)25-19(24)22(10-3)11-4/h12-14H,8-11H2,1-7H3
InChIKeyDBQISOKNPVIEFU-UHFFFAOYSA-N
XLogP4.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-methoxy-5-(trifluoromethyl)benzamide
CID 164894117
[4-tert-butyl-2-(3-methoxyphenyl)phenyl] N,N-diethylcarbamate
CID 44551915
[2-(diethylcarbamoyl)phenyl] N,N-dipropylcarbamate
CID 122517572
[2-(diethylcarbamoyl)phenyl] N,N-dimethylcarbamate
CID 122517571
ethyl 2-(diethylcarbamoyloxy)-5-methylbenzoate
CID 122517620
ethyl 5-tert-butyl-2-ethoxycarbonyloxybenzoate
CID 122517402
(2,6-dichloro-3-pyridinyl) N,N-diethylcarbamate
CID 57052459
(2,3-dihydroxyphenyl) N,N-diethylcarbamate
CID 131845695
1-(5-tert-butyl-2-ethoxyphenyl)propan-1-one
CID 82053491
(4-tert-butyl-2-chlorophenyl) N,N-dimethylcarbamate
CID 102226653
[2,6-bis(3-bromophenyl)-4-tert-butylphenyl] N,N-diethylcarbamate
CID 44552085
[4-(diethylcarbamoyl)-2-iodo-3-pyridinyl] N,N-diethylcarbamate
CID 134943200

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(diethylcarbamoyl)phenyl] N,N-diethylcarbamate?
The IUPAC name of [4-tert-butyl-2-(diethylcarbamoyl)phenyl] N,N-diethylcarbamate (CID 122517612) is [4-tert-butyl-2-(diethylcarbamoyl)phenyl] N,N-diethylcarbamate.
What is the SMILES notation for [4-tert-butyl-2-(diethylcarbamoyl)phenyl] N,N-diethylcarbamate?
The canonical SMILES for [4-tert-butyl-2-(diethylcarbamoyl)phenyl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1ccc(C(C)(C)C)cc1C(=O)N(CC)CC.
What is the InChIKey of [4-tert-butyl-2-(diethylcarbamoyl)phenyl] N,N-diethylcarbamate?
The InChIKey is DBQISOKNPVIEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-8-21(9-2)18(23)16-14-15(20(5,6)7)12-13-17(16)25-19(24)22(10-3)11-4/h12-14H,8-11H2,1-7H3.
What are the key properties of [4-tert-butyl-2-(diethylcarbamoyl)phenyl] N,N-diethylcarbamate?
[4-tert-butyl-2-(diethylcarbamoyl)phenyl] N,N-diethylcarbamate has a molecular weight of 348.49 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(diethylcarbamoyl)phenyl] N,N-diethylcarbamate is sourced from PubChem (CID 122517612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).