N-[(6-tert-butylnaphthalen-1-yl)methyl]-N,2,2-trimethylpropanamide

C21H29NO — CID 59683373

IUPACN-[(6-tert-butylnaphthalen-1-yl)methyl]-N,2,2-trimethylpropanamide
SMILESCN(Cc1cccc2cc(C(C)(C)C)ccc12)C(=O)C(C)(C)C
InChIInChI=1S/C21H29NO/c1-20(2,3)17-11-12-18-15(13-17)9-8-10-16(18)14-22(7)19(23)21(4,5)6/h8-13H,14H2,1-7H3
InChIKeyGTIZUHYWOGHFQW-UHFFFAOYSA-N
MW311.47 g/mol
LogP5.14
Rot. Bonds2

About N-[(6-tert-butylnaphthalen-1-yl)methyl]-N,2,2-trimethylpropanamide

N-[(6-tert-butylnaphthalen-1-yl)methyl]-N,2,2-trimethylpropanamide (PubChem CID 59683373) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[(6-tert-butylnaphthalen-1-yl)methyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[(6-tert-butylnaphthalen-1-yl)methyl]-N,2,2-trimethylpropanamide
PubChem CID59683373
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC NameN-[(6-tert-butylnaphthalen-1-yl)methyl]-N,2,2-trimethylpropanamide
SMILESCN(Cc1cccc2cc(C(C)(C)C)ccc12)C(=O)C(C)(C)C
InChIInChI=1S/C21H29NO/c1-20(2,3)17-11-12-18-15(13-17)9-8-10-16(18)14-22(7)19(23)21(4,5)6/h8-13H,14H2,1-7H3
InChIKeyGTIZUHYWOGHFQW-UHFFFAOYSA-N
XLogP5.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.47
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(6-tert-butylnaphthalen-1-yl)methyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[(6-tert-butylnaphthalen-1-yl)methyl]-N,2,2-trimethylpropanamide (CID 59683373) is N-[(6-tert-butylnaphthalen-1-yl)methyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[(6-tert-butylnaphthalen-1-yl)methyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[(6-tert-butylnaphthalen-1-yl)methyl]-N,2,2-trimethylpropanamide is CN(Cc1cccc2cc(C(C)(C)C)ccc12)C(=O)C(C)(C)C.
What is the InChIKey of N-[(6-tert-butylnaphthalen-1-yl)methyl]-N,2,2-trimethylpropanamide?
The InChIKey is GTIZUHYWOGHFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-20(2,3)17-11-12-18-15(13-17)9-8-10-16(18)14-22(7)19(23)21(4,5)6/h8-13H,14H2,1-7H3.
What are the key properties of N-[(6-tert-butylnaphthalen-1-yl)methyl]-N,2,2-trimethylpropanamide?
N-[(6-tert-butylnaphthalen-1-yl)methyl]-N,2,2-trimethylpropanamide has a molecular weight of 311.47 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-tert-butylnaphthalen-1-yl)methyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 59683373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).