N-[(2,4-dimethoxyphenyl)methyl]-3-methoxy-N-[6-(4-methoxyphenyl)-1,3-benzoxazol-2-yl]benzamide

C31H28N2O6 — CID 178063598

IUPACN-[(2,4-dimethoxyphenyl)methyl]-3-methoxy-N-[6-(4-methoxyphenyl)-1,3-benzoxazol-2-yl]benzamide
SMILESCOc1ccc(-c2ccc3nc(N(Cc4ccc(OC)cc4OC)C(=O)c4cccc(OC)c4)oc3c2)cc1
InChIInChI=1S/C31H28N2O6/c1-35-24-12-8-20(9-13-24)21-11-15-27-29(17-21)39-31(32-27)33(30(34)22-6-5-7-25(16-22)36-2)19-23-10-14-26(37-3)18-28(23)38-4/h5-18H,19H2,1-4H3
InChIKeyBTCLGSQEFPKVPY-UHFFFAOYSA-N
MW524.57 g/mol
LogP6.38
Rot. Bonds9

About N-[(2,4-dimethoxyphenyl)methyl]-3-methoxy-N-[6-(4-methoxyphenyl)-1,3-benzoxazol-2-yl]benzamide

N-[(2,4-dimethoxyphenyl)methyl]-3-methoxy-N-[6-(4-methoxyphenyl)-1,3-benzoxazol-2-yl]benzamide (PubChem CID 178063598) has the molecular formula C31H28N2O6 and a molecular weight of 524.57 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-3-methoxy-N-[6-(4-methoxyphenyl)-1,3-benzoxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-3-methoxy-N-[6-(4-methoxyphenyl)-1,3-benzoxazol-2-yl]benzamide
PubChem CID178063598
Molecular FormulaC31H28N2O6
Molecular Weight524.57 g/mol
Exact Mass524.19
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-3-methoxy-N-[6-(4-methoxyphenyl)-1,3-benzoxazol-2-yl]benzamide
SMILESCOc1ccc(-c2ccc3nc(N(Cc4ccc(OC)cc4OC)C(=O)c4cccc(OC)c4)oc3c2)cc1
InChIInChI=1S/C31H28N2O6/c1-35-24-12-8-20(9-13-24)21-11-15-27-29(17-21)39-31(32-27)33(30(34)22-6-5-7-25(16-22)36-2)19-23-10-14-26(37-3)18-28(23)38-4/h5-18H,19H2,1-4H3
InChIKeyBTCLGSQEFPKVPY-UHFFFAOYSA-N
XLogP6.38
TPSA83.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.57
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(2,4-dimethoxyphenyl)methyl]-3-methoxy-N-[6-(4-methoxyphenyl)-1,3-benzoxazol-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyano-N-[(4-methoxyphenyl)methyl]-N-(5-thiophen-3-yl-1,3-benzoxazol-2-yl)benzamide
CID 178063569
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 55511756
N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32893963
[2-hydroxy-5-[4-[[(3-methoxybenzoyl)-[(2-methoxyphenyl)methyl]amino]methyl]phenyl]phenyl] hydrogen carbonate
CID 67398871
3-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-(2,6-dimethoxy-4-pyridinyl)propan-1-one
CID 130407748
N-[(2,4-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 46354270
3-methoxy-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095830
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)-N-[5-[4-(trifluoromethyl)pyrazol-1-yl]-1,3-benzoxazol-2-yl]benzamide
CID 177345377
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
N-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]methyl]-3-methoxybenzamide
CID 17163458
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 110408855
N-[(2,4-dimethoxyphenyl)methyl]-4-phenylbenzamide
CID 46590205

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-methoxy-N-[6-(4-methoxyphenyl)-1,3-benzoxazol-2-yl]benzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-3-methoxy-N-[6-(4-methoxyphenyl)-1,3-benzoxazol-2-yl]benzamide (CID 178063598) is N-[(2,4-dimethoxyphenyl)methyl]-3-methoxy-N-[6-(4-methoxyphenyl)-1,3-benzoxazol-2-yl]benzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-3-methoxy-N-[6-(4-methoxyphenyl)-1,3-benzoxazol-2-yl]benzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-3-methoxy-N-[6-(4-methoxyphenyl)-1,3-benzoxazol-2-yl]benzamide is COc1ccc(-c2ccc3nc(N(Cc4ccc(OC)cc4OC)C(=O)c4cccc(OC)c4)oc3c2)cc1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-3-methoxy-N-[6-(4-methoxyphenyl)-1,3-benzoxazol-2-yl]benzamide?
The InChIKey is BTCLGSQEFPKVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O6/c1-35-24-12-8-20(9-13-24)21-11-15-27-29(17-21)39-31(32-27)33(30(34)22-6-5-7-25(16-22)36-2)19-23-10-14-26(37-3)18-28(23)38-4/h5-18H,19H2,1-4H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-3-methoxy-N-[6-(4-methoxyphenyl)-1,3-benzoxazol-2-yl]benzamide?
N-[(2,4-dimethoxyphenyl)methyl]-3-methoxy-N-[6-(4-methoxyphenyl)-1,3-benzoxazol-2-yl]benzamide has a molecular weight of 524.57 g/mol, XLogP of 6.38, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-3-methoxy-N-[6-(4-methoxyphenyl)-1,3-benzoxazol-2-yl]benzamide is sourced from PubChem (CID 178063598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).