(3,5-ditert-butylphenyl) N-ethyl-N-methylcarbamate

C18H29NO2 — CID 68735329

IUPAC(3,5-ditert-butylphenyl) N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C18H29NO2/c1-9-19(8)16(20)21-15-11-13(17(2,3)4)10-14(12-15)18(5,6)7/h10-12H,9H2,1-8H3
InChIKeyVJGFWWFHJKHLJV-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.73
Rot. Bonds2

About (3,5-ditert-butylphenyl) N-ethyl-N-methylcarbamate

(3,5-ditert-butylphenyl) N-ethyl-N-methylcarbamate (PubChem CID 68735329) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (3,5-ditert-butylphenyl) N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name(3,5-ditert-butylphenyl) N-ethyl-N-methylcarbamate
PubChem CID68735329
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(3,5-ditert-butylphenyl) N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1
InChIInChI=1S/C18H29NO2/c1-9-19(8)16(20)21-15-11-13(17(2,3)4)10-14(12-15)18(5,6)7/h10-12H,9H2,1-8H3
InChIKeyVJGFWWFHJKHLJV-UHFFFAOYSA-N
XLogP4.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-ditert-butylphenyl) N-ethyl-N-methylcarbamate?
The IUPAC name of (3,5-ditert-butylphenyl) N-ethyl-N-methylcarbamate (CID 68735329) is (3,5-ditert-butylphenyl) N-ethyl-N-methylcarbamate.
What is the SMILES notation for (3,5-ditert-butylphenyl) N-ethyl-N-methylcarbamate?
The canonical SMILES for (3,5-ditert-butylphenyl) N-ethyl-N-methylcarbamate is CCN(C)C(=O)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1.
What is the InChIKey of (3,5-ditert-butylphenyl) N-ethyl-N-methylcarbamate?
The InChIKey is VJGFWWFHJKHLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-9-19(8)16(20)21-15-11-13(17(2,3)4)10-14(12-15)18(5,6)7/h10-12H,9H2,1-8H3.
What are the key properties of (3,5-ditert-butylphenyl) N-ethyl-N-methylcarbamate?
(3,5-ditert-butylphenyl) N-ethyl-N-methylcarbamate has a molecular weight of 291.44 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-ditert-butylphenyl) N-ethyl-N-methylcarbamate is sourced from PubChem (CID 68735329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).