4-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide

C22H23NO2 — CID 2332529

IUPAC4-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc12
InChIInChI=1S/C22H23NO2/c1-22(2,3)16-11-9-15(10-12-16)21(24)23-19-13-14-20(25-4)18-8-6-5-7-17(18)19/h5-14H,1-4H3,(H,23,24)
InChIKeyLWRCIIXPTQPCPL-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.40
Rot. Bonds3

About 4-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide

4-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide (PubChem CID 2332529) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide
PubChem CID2332529
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name4-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc12
InChIInChI=1S/C22H23NO2/c1-22(2,3)16-11-9-15(10-12-16)21(24)23-19-13-14-20(25-4)18-8-6-5-7-17(18)19/h5-14H,1-4H3,(H,23,24)
InChIKeyLWRCIIXPTQPCPL-UHFFFAOYSA-N
XLogP5.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxynaphthalen-1-yl)-4-phenylbenzamide
CID 1190439
N-(4-methoxynaphthalen-1-yl)-4-nitrobenzamide
CID 4049338
2-methoxy-N-(4-methoxynaphthalen-1-yl)-2-methylpropanamide
CID 100752361
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methoxynaphthalen-1-yl)benzamide
CID 121044893
N-(5-tert-butyl-2-methoxyphenyl)-4-propan-2-ylbenzamide
CID 7935956
3-ethylsulfonyl-N-(4-methoxynaphthalen-1-yl)benzamide
CID 7295239
(2R)-2-methoxy-N-(4-methoxynaphthalen-1-yl)-2-methylhexanamide
CID 100755111
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
N-[2-[(5-amino-2-methoxyphenyl)sulfonylamino]phenyl]-4-tert-butylbenzamide
CID 170977309
4-tert-butyl-N-(2-methylphenyl)benzamide
CID 139185103
4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide
CID 847793
4-tert-butyl-N-(2-phenoxyphenyl)benzamide
CID 903986

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide?
The IUPAC name of 4-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide (CID 2332529) is 4-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide is COc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc12.
What is the InChIKey of 4-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide?
The InChIKey is LWRCIIXPTQPCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-22(2,3)16-11-9-15(10-12-16)21(24)23-19-13-14-20(25-4)18-8-6-5-7-17(18)19/h5-14H,1-4H3,(H,23,24).
What are the key properties of 4-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide?
4-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide has a molecular weight of 333.43 g/mol, XLogP of 5.40, 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-(4-methoxynaphthalen-1-yl)benzamide is sourced from PubChem (CID 2332529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).