4-[(4-tert-butylphenoxy)methyl]-N-(1-hydroxybutan-2-yl)benzamide

C22H29NO3 — CID 112771460

IUPAC4-[(4-tert-butylphenoxy)methyl]-N-(1-hydroxybutan-2-yl)benzamide
SMILESCCC(CO)NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H29NO3/c1-5-19(14-24)23-21(25)17-8-6-16(7-9-17)15-26-20-12-10-18(11-13-20)22(2,3)4/h6-13,19,24H,5,14-15H2,1-4H3,(H,23,25)
InChIKeyMNQSIHWADVKDMI-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.06
Rot. Bonds7

About 4-[(4-tert-butylphenoxy)methyl]-N-(1-hydroxybutan-2-yl)benzamide

4-[(4-tert-butylphenoxy)methyl]-N-(1-hydroxybutan-2-yl)benzamide (PubChem CID 112771460) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-[(4-tert-butylphenoxy)methyl]-N-(1-hydroxybutan-2-yl)benzamide.

Molecular Properties

Compound Name4-[(4-tert-butylphenoxy)methyl]-N-(1-hydroxybutan-2-yl)benzamide
PubChem CID112771460
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name4-[(4-tert-butylphenoxy)methyl]-N-(1-hydroxybutan-2-yl)benzamide
SMILESCCC(CO)NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H29NO3/c1-5-19(14-24)23-21(25)17-8-6-16(7-9-17)15-26-20-12-10-18(11-13-20)22(2,3)4/h6-13,19,24H,5,14-15H2,1-4H3,(H,23,25)
InChIKeyMNQSIHWADVKDMI-UHFFFAOYSA-N
XLogP4.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-pentan-3-yl-4-(phenoxymethyl)benzamide
CID 55345339
N-(1-hydroxybutan-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide
CID 110466125
N-[(2R)-1-hydroxybutan-2-yl]-4-(propan-2-yloxymethyl)benzamide
CID 93041550
4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 104981373
N-[(2R)-1-hydroxybutan-2-yl]-4-(trifluoromethoxy)benzamide
CID 103920258
4-[(4-tert-butylphenoxy)methyl]-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 32974694
4-tert-butyl-N-heptan-4-ylbenzamide
CID 138525805
4-[(4-tert-butylphenoxy)methyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 7961623
methyl 3-[[4-[(4-tert-butylphenoxy)methyl]benzoyl]amino]propanoate
CID 40655214
4-[(4-tert-butylphenoxy)methyl]-N-(2-propoxyphenyl)benzamide
CID 7941963
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547
4-ethoxy-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246765

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenoxy)methyl]-N-(1-hydroxybutan-2-yl)benzamide?
The IUPAC name of 4-[(4-tert-butylphenoxy)methyl]-N-(1-hydroxybutan-2-yl)benzamide (CID 112771460) is 4-[(4-tert-butylphenoxy)methyl]-N-(1-hydroxybutan-2-yl)benzamide.
What is the SMILES notation for 4-[(4-tert-butylphenoxy)methyl]-N-(1-hydroxybutan-2-yl)benzamide?
The canonical SMILES for 4-[(4-tert-butylphenoxy)methyl]-N-(1-hydroxybutan-2-yl)benzamide is CCC(CO)NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-[(4-tert-butylphenoxy)methyl]-N-(1-hydroxybutan-2-yl)benzamide?
The InChIKey is MNQSIHWADVKDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-5-19(14-24)23-21(25)17-8-6-16(7-9-17)15-26-20-12-10-18(11-13-20)22(2,3)4/h6-13,19,24H,5,14-15H2,1-4H3,(H,23,25).
What are the key properties of 4-[(4-tert-butylphenoxy)methyl]-N-(1-hydroxybutan-2-yl)benzamide?
4-[(4-tert-butylphenoxy)methyl]-N-(1-hydroxybutan-2-yl)benzamide has a molecular weight of 355.48 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenoxy)methyl]-N-(1-hydroxybutan-2-yl)benzamide is sourced from PubChem (CID 112771460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).