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

C29H34N2O4 — CID 42701785

IUPACN-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1ccc(CN(CCN2CCOCC2)C(=O)c2ccccc2C)cc1OCc1ccccc1
InChIInChI=1S/C29H34N2O4/c1-23-8-6-7-11-26(23)29(32)31(15-14-30-16-18-34-19-17-30)21-25-12-13-27(33-2)28(20-25)35-22-24-9-4-3-5-10-24/h3-13,20H,14-19,21-22H2,1-2H3
InChIKeyBCJSIPCAKDFLDW-UHFFFAOYSA-N
MW474.60 g/mol
LogP4.56
Rot. Bonds10

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

N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 42701785) has the molecular formula C29H34N2O4 and a molecular weight of 474.60 g/mol. Its IUPAC name is N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID42701785
Molecular FormulaC29H34N2O4
Molecular Weight474.60 g/mol
Exact Mass474.25
IUPAC NameN-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCOc1ccc(CN(CCN2CCOCC2)C(=O)c2ccccc2C)cc1OCc1ccccc1
InChIInChI=1S/C29H34N2O4/c1-23-8-6-7-11-26(23)29(32)31(15-14-30-16-18-34-19-17-30)21-25-12-13-27(33-2)28(20-25)35-22-24-9-4-3-5-10-24/h3-13,20H,14-19,21-22H2,1-2H3
InChIKeyBCJSIPCAKDFLDW-UHFFFAOYSA-N
XLogP4.56
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide
CID 42701779
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide
CID 42701783
3-(2,6-dimethylphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 42708434
2,4-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 42704417
phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate
CID 3784523
2-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 42698238
N-(2-morpholin-4-ylethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42704967
N-benzyl-2-chloro-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
CID 42701860
N-butan-2-yl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methylbenzamide
CID 42701836
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)tetradecanamide
CID 42701804
ethyl 4-[[(3-methoxy-4-phenylmethoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]amino]benzoate
CID 42708428
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,6-dimethylphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 42708372

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide (CID 42701785) is N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide is COc1ccc(CN(CCN2CCOCC2)C(=O)c2ccccc2C)cc1OCc1ccccc1.
What is the InChIKey of N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is BCJSIPCAKDFLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O4/c1-23-8-6-7-11-26(23)29(32)31(15-14-30-16-18-34-19-17-30)21-25-12-13-27(33-2)28(20-25)35-22-24-9-4-3-5-10-24/h3-13,20H,14-19,21-22H2,1-2H3.
What are the key properties of N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide?
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 474.60 g/mol, XLogP of 4.56, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 42701785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).