N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide

C32H33NO2 — CID 139904878

IUPACN-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide
SMILESCC(C)(C)c1ccc(CCNC(=O)c2ccc(-c3ccc(OCc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C32H33NO2/c1-32(2,3)29-17-9-24(10-18-29)21-22-33-31(34)28-13-11-26(12-14-28)27-15-19-30(20-16-27)35-23-25-7-5-4-6-8-25/h4-20H,21-23H2,1-3H3,(H,33,34)
InChIKeyWRZYTWIMNFQLEM-UHFFFAOYSA-N
MW463.62 g/mol
LogP7.20
Rot. Bonds8

About N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide

N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide (PubChem CID 139904878) has the molecular formula C32H33NO2 and a molecular weight of 463.62 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide
PubChem CID139904878
Molecular FormulaC32H33NO2
Molecular Weight463.62 g/mol
Exact Mass463.25
IUPAC NameN-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide
SMILESCC(C)(C)c1ccc(CCNC(=O)c2ccc(-c3ccc(OCc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C32H33NO2/c1-32(2,3)29-17-9-24(10-18-29)21-22-33-31(34)28-13-11-26(12-14-28)27-15-19-30(20-16-27)35-23-25-7-5-4-6-8-25/h4-20H,21-23H2,1-3H3,(H,33,34)
InChIKeyWRZYTWIMNFQLEM-UHFFFAOYSA-N
XLogP7.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.62
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenylmethoxy-N-propylbenzamide
CID 4958389
4-[(4-tert-butylphenoxy)methyl]-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 32974694
methyl 3-[[4-[(4-tert-butylphenoxy)methyl]benzoyl]amino]propanoate
CID 40655214
4-(2-methoxyethoxy)-N-(2-phenylethyl)benzamide
CID 15943281
N-(2-hydroxyethyl)-4-phenylmethoxybenzamide
CID 10825986
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107
N-(2-aminoethyl)-4-phenylmethoxybenzamide
CID 13064036
1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide
CID 91489702
4-[(4-tert-butylphenoxy)methyl]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 112767636
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide
CID 26733446
4-[(4-phenylphenoxy)methyl]benzohydrazide
CID 2368822

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide (CID 139904878) is N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide is CC(C)(C)c1ccc(CCNC(=O)c2ccc(-c3ccc(OCc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide?
The InChIKey is WRZYTWIMNFQLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33NO2/c1-32(2,3)29-17-9-24(10-18-29)21-22-33-31(34)28-13-11-26(12-14-28)27-15-19-30(20-16-27)35-23-25-7-5-4-6-8-25/h4-20H,21-23H2,1-3H3,(H,33,34).
What are the key properties of N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide?
N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide has a molecular weight of 463.62 g/mol, XLogP of 7.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 139904878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).