N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide

C29H28N2O3 — CID 42701819

IUPACN-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
SMILESCOc1ccc(CN(CCc2ccccn2)C(=O)c2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C29H28N2O3/c1-33-27-16-15-24(20-28(27)34-22-23-10-4-2-5-11-23)21-31(19-17-26-14-8-9-18-30-26)29(32)25-12-6-3-7-13-25/h2-16,18,20H,17,19,21-22H2,1H3
InChIKeyYUDMYRHCHVOEIR-UHFFFAOYSA-N
MW452.55 g/mol
LogP5.55
Rot. Bonds10

About N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide

N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 42701819) has the molecular formula C29H28N2O3 and a molecular weight of 452.55 g/mol. Its IUPAC name is N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound NameN-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID42701819
Molecular FormulaC29H28N2O3
Molecular Weight452.55 g/mol
Exact Mass452.21
IUPAC NameN-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide
SMILESCOc1ccc(CN(CCc2ccccn2)C(=O)c2ccccc2)cc1OCc1ccccc1
InChIInChI=1S/C29H28N2O3/c1-33-27-16-15-24(20-28(27)34-22-23-10-4-2-5-11-23)21-31(19-17-26-14-8-9-18-30-26)29(32)25-12-6-3-7-13-25/h2-16,18,20H,17,19,21-22H2,1H3
InChIKeyYUDMYRHCHVOEIR-UHFFFAOYSA-N
XLogP5.55
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.55
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylethanamine;3-chloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide
CID 159141021
3-(3-chlorophenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)urea
CID 42702097
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 42701827
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-methyl-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-nitro-N-(2-pyridin-2-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-nitro-N-(2-pyridin-2-ylethyl)benzamide
CID 161396856
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-pyridin-2-ylethyl)urea
CID 42697255
(2R)-2-amino-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-phenyl-N-(2-pyridin-2-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)hexanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)pentanamide
CID 159805711
N-[[4-methoxy-3-(thiophen-3-ylmethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide
CID 42479899
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 42165859
N-benzyl-2-chloro-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
CID 42701860
4-butyl-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
CID 42701759
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxyphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 4562686
2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111032714

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide (CID 42701819) is N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide is COc1ccc(CN(CCc2ccccn2)C(=O)c2ccccc2)cc1OCc1ccccc1.
What is the InChIKey of N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is YUDMYRHCHVOEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O3/c1-33-27-16-15-24(20-28(27)34-22-23-10-4-2-5-11-23)21-31(19-17-26-14-8-9-18-30-26)29(32)25-12-6-3-7-13-25/h2-16,18,20H,17,19,21-22H2,1H3.
What are the key properties of N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide?
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 452.55 g/mol, XLogP of 5.55, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 42701819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).