N-[[3-(4-methylphenoxy)phenyl]methyl]-N-(2-phenoxyethyl)benzamide

C29H27NO3 — CID 54481452

IUPACN-[[3-(4-methylphenoxy)phenyl]methyl]-N-(2-phenoxyethyl)benzamide
SMILESCc1ccc(Oc2cccc(CN(CCOc3ccccc3)C(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C29H27NO3/c1-23-15-17-27(18-16-23)33-28-14-8-9-24(21-28)22-30(29(31)25-10-4-2-5-11-25)19-20-32-26-12-6-3-7-13-26/h2-18,21H,19-20,22H2,1H3
InChIKeyXPGOZHWYTQQRPI-UHFFFAOYSA-N
MW437.54 g/mol
LogP6.51
Rot. Bonds9

About N-[[3-(4-methylphenoxy)phenyl]methyl]-N-(2-phenoxyethyl)benzamide

N-[[3-(4-methylphenoxy)phenyl]methyl]-N-(2-phenoxyethyl)benzamide (PubChem CID 54481452) has the molecular formula C29H27NO3 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[[3-(4-methylphenoxy)phenyl]methyl]-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound NameN-[[3-(4-methylphenoxy)phenyl]methyl]-N-(2-phenoxyethyl)benzamide
PubChem CID54481452
Molecular FormulaC29H27NO3
Molecular Weight437.54 g/mol
Exact Mass437.20
IUPAC NameN-[[3-(4-methylphenoxy)phenyl]methyl]-N-(2-phenoxyethyl)benzamide
SMILESCc1ccc(Oc2cccc(CN(CCOc3ccccc3)C(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C29H27NO3/c1-23-15-17-27(18-16-23)33-28-14-8-9-24(21-28)22-30(29(31)25-10-4-2-5-11-25)19-20-32-26-12-6-3-7-13-26/h2-18,21H,19-20,22H2,1H3
InChIKeyXPGOZHWYTQQRPI-UHFFFAOYSA-N
XLogP6.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[4-[2-(dibenzylamino)ethoxy]benzoyl]-[(3-phenoxyphenyl)methyl]amino]propanoate
CID 66912637
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
N-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide
CID 3890451
N-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide
CID 4939619
N-(furan-2-ylmethyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 42705565
N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide
CID 173183648
3-benzyl-1-methyl-1-[2-(4-methylphenoxy)ethyl]urea
CID 27533745
ethyl 3-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]-[(4-phenylmethoxyphenyl)methyl]amino]propanoate
CID 66912964
3-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]-[(4-phenylmethoxyphenyl)methyl]amino]propanoic acid
CID 66913001
3-[3-(4-methylphenoxy)propoxy]benzoic acid
CID 63072752
ethyl 3-[[4-[(3-phenylmethoxyphenyl)methoxy]benzoyl]-[(4-phenylmethoxyphenyl)methyl]amino]propanoate
CID 66912851
ethyl 3-[benzyl-(4-propoxybenzoyl)amino]propanoate
CID 43910678

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methylphenoxy)phenyl]methyl]-N-(2-phenoxyethyl)benzamide?
The IUPAC name of N-[[3-(4-methylphenoxy)phenyl]methyl]-N-(2-phenoxyethyl)benzamide (CID 54481452) is N-[[3-(4-methylphenoxy)phenyl]methyl]-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for N-[[3-(4-methylphenoxy)phenyl]methyl]-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for N-[[3-(4-methylphenoxy)phenyl]methyl]-N-(2-phenoxyethyl)benzamide is Cc1ccc(Oc2cccc(CN(CCOc3ccccc3)C(=O)c3ccccc3)c2)cc1.
What is the InChIKey of N-[[3-(4-methylphenoxy)phenyl]methyl]-N-(2-phenoxyethyl)benzamide?
The InChIKey is XPGOZHWYTQQRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO3/c1-23-15-17-27(18-16-23)33-28-14-8-9-24(21-28)22-30(29(31)25-10-4-2-5-11-25)19-20-32-26-12-6-3-7-13-26/h2-18,21H,19-20,22H2,1H3.
What are the key properties of N-[[3-(4-methylphenoxy)phenyl]methyl]-N-(2-phenoxyethyl)benzamide?
N-[[3-(4-methylphenoxy)phenyl]methyl]-N-(2-phenoxyethyl)benzamide has a molecular weight of 437.54 g/mol, XLogP of 6.51, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methylphenoxy)phenyl]methyl]-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 54481452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).