4,5-ditert-butyl-N-ethyl-2-methoxybenzamide

C18H29NO2 — CID 155787502

IUPAC4,5-ditert-butyl-N-ethyl-2-methoxybenzamide
SMILESCCNC(=O)c1cc(C(C)(C)C)c(C(C)(C)C)cc1OC
InChIInChI=1S/C18H29NO2/c1-9-19-16(20)12-10-13(17(2,3)4)14(18(5,6)7)11-15(12)21-8/h10-11H,9H2,1-8H3,(H,19,20)
InChIKeyBEGCTVAHHBRNLX-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.04
Rot. Bonds3

About 4,5-ditert-butyl-N-ethyl-2-methoxybenzamide

4,5-ditert-butyl-N-ethyl-2-methoxybenzamide (PubChem CID 155787502) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4,5-ditert-butyl-N-ethyl-2-methoxybenzamide.

Molecular Properties

Compound Name4,5-ditert-butyl-N-ethyl-2-methoxybenzamide
PubChem CID155787502
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name4,5-ditert-butyl-N-ethyl-2-methoxybenzamide
SMILESCCNC(=O)c1cc(C(C)(C)C)c(C(C)(C)C)cc1OC
InChIInChI=1S/C18H29NO2/c1-9-19-16(20)12-10-13(17(2,3)4)14(18(5,6)7)11-15(12)21-8/h10-11H,9H2,1-8H3,(H,19,20)
InChIKeyBEGCTVAHHBRNLX-UHFFFAOYSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-2,4,5-trimethoxybenzamide
CID 9224367
5-tert-butyl-N-(cyanomethyl)-4-methoxy-2-methylbenzamide
CID 82484656
2,4,5-trimethoxy-N-propylbenzamide
CID 32736700
N-ethyl-4-methoxythiophene-3-carboxamide
CID 18712313
N-(2-acetamidoethyl)-5-tert-butyl-4-methoxy-2-methylbenzamide
CID 110761838
1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone
CID 23035413
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
N-[2-(ethylamino)ethyl]-2,4,5-trimethoxybenzamide;hydrochloride
CID 119506932
2-amino-N-ethyl-3,5-dimethoxybenzamide
CID 112606069
2-amino-N-ethyl-3,4,5-trimethoxybenzamide
CID 18711859
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-(ethylamino)ethanone
CID 94978957
4-azido-N-ethyl-2-methoxybenzamide
CID 140535521

Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-N-ethyl-2-methoxybenzamide?
The IUPAC name of 4,5-ditert-butyl-N-ethyl-2-methoxybenzamide (CID 155787502) is 4,5-ditert-butyl-N-ethyl-2-methoxybenzamide.
What is the SMILES notation for 4,5-ditert-butyl-N-ethyl-2-methoxybenzamide?
The canonical SMILES for 4,5-ditert-butyl-N-ethyl-2-methoxybenzamide is CCNC(=O)c1cc(C(C)(C)C)c(C(C)(C)C)cc1OC.
What is the InChIKey of 4,5-ditert-butyl-N-ethyl-2-methoxybenzamide?
The InChIKey is BEGCTVAHHBRNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-9-19-16(20)12-10-13(17(2,3)4)14(18(5,6)7)11-15(12)21-8/h10-11H,9H2,1-8H3,(H,19,20).
What are the key properties of 4,5-ditert-butyl-N-ethyl-2-methoxybenzamide?
4,5-ditert-butyl-N-ethyl-2-methoxybenzamide has a molecular weight of 291.44 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-N-ethyl-2-methoxybenzamide is sourced from PubChem (CID 155787502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).