N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-[(4-phenylmethoxyphenyl)methoxy]benzamide

C34H37NO3 — CID 141063892

IUPACN-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-[(4-phenylmethoxyphenyl)methoxy]benzamide
SMILESCc1cc(C)cc(C(CC(C)C)NC(=O)c2cccc(OCc3ccc(OCc4ccccc4)cc3)c2)c1
InChIInChI=1S/C34H37NO3/c1-24(2)17-33(30-19-25(3)18-26(4)20-30)35-34(36)29-11-8-12-32(21-29)38-23-28-13-15-31(16-14-28)37-22-27-9-6-5-7-10-27/h5-16,18-21,24,33H,17,22-23H2,1-4H3,(H,35,36)
InChIKeyZVTAAJKVEYJPHM-UHFFFAOYSA-N
MW507.67 g/mol
LogP7.98
Rot. Bonds11

About N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-[(4-phenylmethoxyphenyl)methoxy]benzamide

N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-[(4-phenylmethoxyphenyl)methoxy]benzamide (PubChem CID 141063892) has the molecular formula C34H37NO3 and a molecular weight of 507.67 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-[(4-phenylmethoxyphenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-[(4-phenylmethoxyphenyl)methoxy]benzamide
PubChem CID141063892
Molecular FormulaC34H37NO3
Molecular Weight507.67 g/mol
Exact Mass507.28
IUPAC NameN-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-[(4-phenylmethoxyphenyl)methoxy]benzamide
SMILESCc1cc(C)cc(C(CC(C)C)NC(=O)c2cccc(OCc3ccc(OCc4ccccc4)cc3)c2)c1
InChIInChI=1S/C34H37NO3/c1-24(2)17-33(30-19-25(3)18-26(4)20-30)35-34(36)29-11-8-12-32(21-29)38-23-28-13-15-31(16-14-28)37-22-27-9-6-5-7-10-27/h5-16,18-21,24,33H,17,22-23H2,1-4H3,(H,35,36)
InChIKeyZVTAAJKVEYJPHM-UHFFFAOYSA-N
XLogP7.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.67
LogP ≤ 57.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethylphenyl)-3-methylbutyl]-3-(phenoxymethyl)benzamide
CID 141063928
N-[1-(3-methoxyphenyl)-3-methylbutyl]-3-(phenoxymethyl)benzamide
CID 141169370
2-butyl-N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-5-phenylmethoxybenzamide
CID 142214087
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide
CID 97498534
3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide
CID 38005412
N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-phenylmethoxybenzamide
CID 100568849
3-[[3-[(3-methylphenyl)methoxy]benzoyl]amino]butanoic acid
CID 119220727
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3-methylbenzamide
CID 43916366
N-(3-hydroxybutyl)-3-phenylmethoxybenzamide
CID 111433563
3-[(4-fluorophenyl)methoxy]-N-(3-methylbutan-2-yl)benzamide
CID 43035024

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-[(4-phenylmethoxyphenyl)methoxy]benzamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-[(4-phenylmethoxyphenyl)methoxy]benzamide (CID 141063892) is N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-[(4-phenylmethoxyphenyl)methoxy]benzamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-[(4-phenylmethoxyphenyl)methoxy]benzamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-[(4-phenylmethoxyphenyl)methoxy]benzamide is Cc1cc(C)cc(C(CC(C)C)NC(=O)c2cccc(OCc3ccc(OCc4ccccc4)cc3)c2)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-[(4-phenylmethoxyphenyl)methoxy]benzamide?
The InChIKey is ZVTAAJKVEYJPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37NO3/c1-24(2)17-33(30-19-25(3)18-26(4)20-30)35-34(36)29-11-8-12-32(21-29)38-23-28-13-15-31(16-14-28)37-22-27-9-6-5-7-10-27/h5-16,18-21,24,33H,17,22-23H2,1-4H3,(H,35,36).
What are the key properties of N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-[(4-phenylmethoxyphenyl)methoxy]benzamide?
N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-[(4-phenylmethoxyphenyl)methoxy]benzamide has a molecular weight of 507.67 g/mol, XLogP of 7.98, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-3-[(4-phenylmethoxyphenyl)methoxy]benzamide is sourced from PubChem (CID 141063892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).