N-[(4-tert-butylphenyl)methyl]-4-methoxy-N-pentan-2-ylbenzamide

C24H33NO2 — CID 44533951

IUPACN-[(4-tert-butylphenyl)methyl]-4-methoxy-N-pentan-2-ylbenzamide
SMILESCCCC(C)N(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C24H33NO2/c1-7-8-18(2)25(23(26)20-11-15-22(27-6)16-12-20)17-19-9-13-21(14-10-19)24(3,4)5/h9-16,18H,7-8,17H2,1-6H3
InChIKeyIVIWWDXZJCJBJV-UHFFFAOYSA-N
MW367.53 g/mol
LogP5.82
Rot. Bonds7

About N-[(4-tert-butylphenyl)methyl]-4-methoxy-N-pentan-2-ylbenzamide

N-[(4-tert-butylphenyl)methyl]-4-methoxy-N-pentan-2-ylbenzamide (PubChem CID 44533951) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-4-methoxy-N-pentan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-4-methoxy-N-pentan-2-ylbenzamide
PubChem CID44533951
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC NameN-[(4-tert-butylphenyl)methyl]-4-methoxy-N-pentan-2-ylbenzamide
SMILESCCCC(C)N(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C24H33NO2/c1-7-8-18(2)25(23(26)20-11-15-22(27-6)16-12-20)17-19-9-13-21(14-10-19)24(3,4)5/h9-16,18H,7-8,17H2,1-6H3
InChIKeyIVIWWDXZJCJBJV-UHFFFAOYSA-N
XLogP5.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-4-methoxy-N-pentan-2-ylbenzamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-4-methoxy-N-pentan-2-ylbenzamide (CID 44533951) is N-[(4-tert-butylphenyl)methyl]-4-methoxy-N-pentan-2-ylbenzamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-4-methoxy-N-pentan-2-ylbenzamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-4-methoxy-N-pentan-2-ylbenzamide is CCCC(C)N(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-4-methoxy-N-pentan-2-ylbenzamide?
The InChIKey is IVIWWDXZJCJBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2/c1-7-8-18(2)25(23(26)20-11-15-22(27-6)16-12-20)17-19-9-13-21(14-10-19)24(3,4)5/h9-16,18H,7-8,17H2,1-6H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-4-methoxy-N-pentan-2-ylbenzamide?
N-[(4-tert-butylphenyl)methyl]-4-methoxy-N-pentan-2-ylbenzamide has a molecular weight of 367.53 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-4-methoxy-N-pentan-2-ylbenzamide is sourced from PubChem (CID 44533951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).