2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide

C33H34N2O3 — CID 5302994

IUPAC2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
SMILESCc1ccc(C(C)C)c(OCc2ccccc2C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C33H34N2O3/c1-23(2)27-18-17-24(3)21-31(27)38-22-26-13-7-8-14-28(26)33(37)35-30-16-10-9-15-29(30)32(36)34-20-19-25-11-5-4-6-12-25/h4-18,21,23H,19-20,22H2,1-3H3,(H,34,36)(H,35,37)
InChIKeyBXPCUESKWANCBN-UHFFFAOYSA-N
MW506.65 g/mol
LogP6.92
Rot. Bonds10

About 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide

2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide (PubChem CID 5302994) has the molecular formula C33H34N2O3 and a molecular weight of 506.65 g/mol. Its IUPAC name is 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
PubChem CID5302994
Molecular FormulaC33H34N2O3
Molecular Weight506.65 g/mol
Exact Mass506.26
IUPAC Name2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
SMILESCc1ccc(C(C)C)c(OCc2ccccc2C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C33H34N2O3/c1-23(2)27-18-17-24(3)21-31(27)38-22-26-13-7-8-14-28(26)33(37)35-30-16-10-9-15-29(30)32(36)34-20-19-25-11-5-4-6-12-25/h4-18,21,23H,19-20,22H2,1-3H3,(H,34,36)(H,35,37)
InChIKeyBXPCUESKWANCBN-UHFFFAOYSA-N
XLogP6.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4929756
N-[4-(cyanomethyl)phenyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]benzamide
CID 5303014
N-butyl-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 100559135
2-[[(2R)-2-(4-methylphenyl)sulfanylpropanoyl]amino]-N-(2-phenylethyl)benzamide
CID 27055625
2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 17188917
2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
CID 4863455
2-(2-phenoxypropanoylamino)-N-(2-phenylethyl)benzamide
CID 4939967
N-(2-acetylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7948552
N-(2,5-dimethylphenyl)-2-(2-phenylethyl)benzamide
CID 19167579
2-[[2-[(2-phenylacetyl)amino]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 33252278
N-(2-phenylethyl)-2-[[(2S)-2-phenylsulfanylpropanoyl]amino]benzamide
CID 31493274
2-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-N-(2-phenylethyl)benzamide
CID 92685505

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide (CID 5302994) is 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide is Cc1ccc(C(C)C)c(OCc2ccccc2C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1.
What is the InChIKey of 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide?
The InChIKey is BXPCUESKWANCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O3/c1-23(2)27-18-17-24(3)21-31(27)38-22-26-13-7-8-14-28(26)33(37)35-30-16-10-9-15-29(30)32(36)34-20-19-25-11-5-4-6-12-25/h4-18,21,23H,19-20,22H2,1-3H3,(H,34,36)(H,35,37).
What are the key properties of 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide?
2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide has a molecular weight of 506.65 g/mol, XLogP of 6.92, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 5302994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).