5-[(3-cyanophenoxy)methyl]-N-[1-(3,5-dimethylphenyl)propyl]-2-propylbenzamide

C29H32N2O2 — CID 142214210

IUPAC5-[(3-cyanophenoxy)methyl]-N-[1-(3,5-dimethylphenyl)propyl]-2-propylbenzamide
SMILESCCCc1ccc(COc2cccc(C#N)c2)cc1C(=O)NC(CC)c1cc(C)cc(C)c1
InChIInChI=1S/C29H32N2O2/c1-5-8-24-12-11-23(19-33-26-10-7-9-22(16-26)18-30)17-27(24)29(32)31-28(6-2)25-14-20(3)13-21(4)15-25/h7,9-17,28H,5-6,8,19H2,1-4H3,(H,31,32)
InChIKeyWUYCXKDIRFTIMG-UHFFFAOYSA-N
MW440.59 g/mol
LogP6.59
Rot. Bonds9

About 5-[(3-cyanophenoxy)methyl]-N-[1-(3,5-dimethylphenyl)propyl]-2-propylbenzamide

5-[(3-cyanophenoxy)methyl]-N-[1-(3,5-dimethylphenyl)propyl]-2-propylbenzamide (PubChem CID 142214210) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 5-[(3-cyanophenoxy)methyl]-N-[1-(3,5-dimethylphenyl)propyl]-2-propylbenzamide.

Molecular Properties

Compound Name5-[(3-cyanophenoxy)methyl]-N-[1-(3,5-dimethylphenyl)propyl]-2-propylbenzamide
PubChem CID142214210
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC Name5-[(3-cyanophenoxy)methyl]-N-[1-(3,5-dimethylphenyl)propyl]-2-propylbenzamide
SMILESCCCc1ccc(COc2cccc(C#N)c2)cc1C(=O)NC(CC)c1cc(C)cc(C)c1
InChIInChI=1S/C29H32N2O2/c1-5-8-24-12-11-23(19-33-26-10-7-9-22(16-26)18-30)17-27(24)29(32)31-28(6-2)25-14-20(3)13-21(4)15-25/h7,9-17,28H,5-6,8,19H2,1-4H3,(H,31,32)
InChIKeyWUYCXKDIRFTIMG-UHFFFAOYSA-N
XLogP6.59
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(phenoxymethyl)-2-(1-phenylpropylcarbamoyl)phenyl]propanoic acid
CID 23016747
2-butyl-N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-5-phenylmethoxybenzamide
CID 142214087
N-[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]-2-propyl-5-[(2,3,6-trifluorophenyl)methoxy]benzamide
CID 150267915
3-[[3-[1-[[1-(3,5-dimethylphenyl)-3-methylbutyl]amino]ethenyl]-4-propylphenyl]methoxy]-4-methoxybenzonitrile
CID 142214300
N-[1-(4-chloro-2-fluorophenyl)-3-methylbutyl]-5-(phenoxymethyl)-2-propylbenzamide
CID 142213902
N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-[(4-phenylmethoxyphenyl)methoxy]benzamide
CID 141063892
3-[2-[[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]-4-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]propanoic acid
CID 10051189
3-[2-[[3-methyl-1-(3,4,5-trimethoxyphenyl)butyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid
CID 23017381
3-[4-[(2,5-dimethylphenoxy)methyl]-2-[[1-(3,5-dimethylphenyl)-3-methylbutyl]carbamoyl]phenyl]propanoic acid
CID 23017516
3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
4-[(3-cyanophenoxy)methyl]-2-fluorobenzoic acid
CID 106698261
3-[2-[[1-(2,3-dimethylphenyl)-3-methylbutyl]carbamoyl]-4-(phenoxymethyl)phenyl]propanoic acid
CID 23017631

Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyanophenoxy)methyl]-N-[1-(3,5-dimethylphenyl)propyl]-2-propylbenzamide?
The IUPAC name of 5-[(3-cyanophenoxy)methyl]-N-[1-(3,5-dimethylphenyl)propyl]-2-propylbenzamide (CID 142214210) is 5-[(3-cyanophenoxy)methyl]-N-[1-(3,5-dimethylphenyl)propyl]-2-propylbenzamide.
What is the SMILES notation for 5-[(3-cyanophenoxy)methyl]-N-[1-(3,5-dimethylphenyl)propyl]-2-propylbenzamide?
The canonical SMILES for 5-[(3-cyanophenoxy)methyl]-N-[1-(3,5-dimethylphenyl)propyl]-2-propylbenzamide is CCCc1ccc(COc2cccc(C#N)c2)cc1C(=O)NC(CC)c1cc(C)cc(C)c1.
What is the InChIKey of 5-[(3-cyanophenoxy)methyl]-N-[1-(3,5-dimethylphenyl)propyl]-2-propylbenzamide?
The InChIKey is WUYCXKDIRFTIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2/c1-5-8-24-12-11-23(19-33-26-10-7-9-22(16-26)18-30)17-27(24)29(32)31-28(6-2)25-14-20(3)13-21(4)15-25/h7,9-17,28H,5-6,8,19H2,1-4H3,(H,31,32).
What are the key properties of 5-[(3-cyanophenoxy)methyl]-N-[1-(3,5-dimethylphenyl)propyl]-2-propylbenzamide?
5-[(3-cyanophenoxy)methyl]-N-[1-(3,5-dimethylphenyl)propyl]-2-propylbenzamide has a molecular weight of 440.59 g/mol, XLogP of 6.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-cyanophenoxy)methyl]-N-[1-(3,5-dimethylphenyl)propyl]-2-propylbenzamide is sourced from PubChem (CID 142214210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).