2,6-dimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-phenylethylcarbamoyl)phenyl]benzamide

C35H38N4O5 — CID 42755807

IUPAC2,6-dimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-phenylethylcarbamoyl)phenyl]benzamide
SMILESCOc1ccccc1N1CCN(c2ccc(NC(=O)c3c(OC)cccc3OC)cc2C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C35H38N4O5/c1-42-30-13-8-7-12-29(30)39-22-20-38(21-23-39)28-17-16-26(37-35(41)33-31(43-2)14-9-15-32(33)44-3)24-27(28)34(40)36-19-18-25-10-5-4-6-11-25/h4-17,24H,18-23H2,1-3H3,(H,36,40)(H,37,41)
InChIKeyVEINACOJJJLADQ-UHFFFAOYSA-N
MW594.71 g/mol
LogP5.26
Rot. Bonds11

About 2,6-dimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-phenylethylcarbamoyl)phenyl]benzamide

2,6-dimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-phenylethylcarbamoyl)phenyl]benzamide (PubChem CID 42755807) has the molecular formula C35H38N4O5 and a molecular weight of 594.71 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-phenylethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-phenylethylcarbamoyl)phenyl]benzamide
PubChem CID42755807
Molecular FormulaC35H38N4O5
Molecular Weight594.71 g/mol
Exact Mass594.28
IUPAC Name2,6-dimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-phenylethylcarbamoyl)phenyl]benzamide
SMILESCOc1ccccc1N1CCN(c2ccc(NC(=O)c3c(OC)cccc3OC)cc2C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C35H38N4O5/c1-42-30-13-8-7-12-29(30)39-22-20-38(21-23-39)28-17-16-26(37-35(41)33-31(43-2)14-9-15-32(33)44-3)24-27(28)34(40)36-19-18-25-10-5-4-6-11-25/h4-17,24H,18-23H2,1-3H3,(H,36,40)(H,37,41)
InChIKeyVEINACOJJJLADQ-UHFFFAOYSA-N
XLogP5.26
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.71
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[(2-chlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide
CID 42755758
5-[(2,6-dimethylphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide
CID 3250365
5-(3,3-dimethylbutanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide
CID 42755771
5-[(2,4-dichlorobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide
CID 42755759
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(naphthalen-1-ylcarbamoylamino)-N-(2-phenylethyl)benzamide
CID 42660840
5-[(2-fluorophenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide
CID 1065484
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42756318
5-(cyclohexylcarbamoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)benzamide
CID 4588005
5-benzamido-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 5138387
N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(3-phenylpropanoylamino)benzamide
CID 1064740
N-[3-(butan-2-ylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-2,6-dimethoxybenzamide
CID 5134441
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(propylcarbamoyl)phenyl]furan-2-carboxamide
CID 42755875

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-phenylethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-phenylethylcarbamoyl)phenyl]benzamide (CID 42755807) is 2,6-dimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-phenylethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-phenylethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-phenylethylcarbamoyl)phenyl]benzamide is COc1ccccc1N1CCN(c2ccc(NC(=O)c3c(OC)cccc3OC)cc2C(=O)NCCc2ccccc2)CC1.
What is the InChIKey of 2,6-dimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-phenylethylcarbamoyl)phenyl]benzamide?
The InChIKey is VEINACOJJJLADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N4O5/c1-42-30-13-8-7-12-29(30)39-22-20-38(21-23-39)28-17-16-26(37-35(41)33-31(43-2)14-9-15-32(33)44-3)24-27(28)34(40)36-19-18-25-10-5-4-6-11-25/h4-17,24H,18-23H2,1-3H3,(H,36,40)(H,37,41).
What are the key properties of 2,6-dimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-phenylethylcarbamoyl)phenyl]benzamide?
2,6-dimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-phenylethylcarbamoyl)phenyl]benzamide has a molecular weight of 594.71 g/mol, XLogP of 5.26, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-phenylethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 42755807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).