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

C22H27NO2 — CID 1122084

IUPAC4-tert-butyl-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
SMILESCOc1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)CCCC2
InChIInChI=1S/C22H27NO2/c1-22(2,3)18-11-9-15(10-12-18)21(24)23-19-13-16-7-5-6-8-17(16)14-20(19)25-4/h9-14H,5-8H2,1-4H3,(H,23,24)
InChIKeyNGGKYNMLXLWSAB-UHFFFAOYSA-N
MW337.46 g/mol
LogP5.12
Rot. Bonds3

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

4-tert-butyl-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide (PubChem CID 1122084) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
PubChem CID1122084
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name4-tert-butyl-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
SMILESCOc1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)CCCC2
InChIInChI=1S/C22H27NO2/c1-22(2,3)18-11-9-15(10-12-18)21(24)23-19-13-16-7-5-6-8-17(16)14-20(19)25-4/h9-14H,5-8H2,1-4H3,(H,23,24)
InChIKeyNGGKYNMLXLWSAB-UHFFFAOYSA-N
XLogP5.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.46
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-(3-ethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 164614809
3-bromo-4-methoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 1311513
3,4,5-trimethoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 1163292
5-tert-butyl-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)thiophene-2-carboxamide
CID 140896358
4-tert-butyl-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 59980671
[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
4-tert-butyl-N-[3-fluoro-5-[(3-fluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl]benzamide
CID 146200106
4-(1-hydroxycyclobutyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide
CID 146200157
N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide
CID 7935956
methyl 4,5-dimethoxy-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoate
CID 18876261
4-tert-butyl-N-(8-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide
CID 146200111

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide (CID 1122084) is 4-tert-butyl-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide is COc1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)CCCC2.
What is the InChIKey of 4-tert-butyl-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
The InChIKey is NGGKYNMLXLWSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-22(2,3)18-11-9-15(10-12-18)21(24)23-19-13-16-7-5-6-8-17(16)14-20(19)25-4/h9-14H,5-8H2,1-4H3,(H,23,24).
What are the key properties of 4-tert-butyl-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide?
4-tert-butyl-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide has a molecular weight of 337.46 g/mol, XLogP of 5.12, 3 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-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide is sourced from PubChem (CID 1122084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).