4-tert-butyl-N-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide

C23H29NO2 — CID 164614809

IUPAC4-tert-butyl-N-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
SMILESCCOc1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)CCCC2
InChIInChI=1S/C23H29NO2/c1-5-26-21-15-18-9-7-6-8-17(18)14-20(21)24-22(25)16-10-12-19(13-11-16)23(2,3)4/h10-15H,5-9H2,1-4H3,(H,24,25)
InChIKeyLZVKZGIHUXIHAI-UHFFFAOYSA-N
MW351.49 g/mol
LogP5.51
Rot. Bonds4

About 4-tert-butyl-N-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide

4-tert-butyl-N-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide (PubChem CID 164614809) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
PubChem CID164614809
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name4-tert-butyl-N-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
SMILESCCOc1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)CCCC2
InChIInChI=1S/C23H29NO2/c1-5-26-21-15-18-9-7-6-8-17(18)14-20(21)24-22(25)16-10-12-19(13-11-16)23(2,3)4/h10-15H,5-9H2,1-4H3,(H,24,25)
InChIKeyLZVKZGIHUXIHAI-UHFFFAOYSA-N
XLogP5.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 1122084
N-[4-(butanoylamino)-2,5-diethoxyphenyl]-4-tert-butylbenzamide
CID 1428135
4-tert-butyl-N-[4-[(2-cyclohexylacetyl)amino]-2,5-diethoxyphenyl]benzamide
CID 3186773
N-[4-[3-(4-tert-butylphenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 19221311
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
[7-[(4-tert-butylbenzoyl)amino]-2,3,4,5-tetrahydro-1H-1-benzazepin-8-yl] acetate
CID 146200094
4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide
CID 140896281
3,4,5-trimethoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 1163292
3-bromo-4-methoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 1311513
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-chloro-4-ethoxybenzamide
CID 15991907
N-[2,5-diethoxy-4-[(1-phenylcyclopropanecarbonyl)amino]phenyl]benzamide
CID 29457055
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4-propylbenzamide
CID 60584787

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide (CID 164614809) is 4-tert-butyl-N-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide is CCOc1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)CCCC2.
What is the InChIKey of 4-tert-butyl-N-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
The InChIKey is LZVKZGIHUXIHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-5-26-21-15-18-9-7-6-8-17(18)14-20(21)24-22(25)16-10-12-19(13-11-16)23(2,3)4/h10-15H,5-9H2,1-4H3,(H,24,25).
What are the key properties of 4-tert-butyl-N-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
4-tert-butyl-N-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide has a molecular weight of 351.49 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide is sourced from PubChem (CID 164614809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).