5-benzamido-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide

C28H32N4O4 — CID 5138387

IUPAC5-benzamido-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
SMILESCOCCNC(=O)c1cc(NC(=O)c2ccccc2)ccc1N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C28H32N4O4/c1-35-19-14-29-28(34)23-20-22(30-27(33)21-8-4-3-5-9-21)12-13-24(23)31-15-17-32(18-16-31)25-10-6-7-11-26(25)36-2/h3-13,20H,14-19H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyMDYQESPXWAHSII-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.65
Rot. Bonds9

About 5-benzamido-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide

5-benzamido-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide (PubChem CID 5138387) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is 5-benzamido-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name5-benzamido-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
PubChem CID5138387
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC Name5-benzamido-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
SMILESCOCCNC(=O)c1cc(NC(=O)c2ccccc2)ccc1N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C28H32N4O4/c1-35-19-14-29-28(34)23-20-22(30-27(33)21-8-4-3-5-9-21)12-13-24(23)31-15-17-32(18-16-31)25-10-6-7-11-26(25)36-2/h3-13,20H,14-19H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyMDYQESPXWAHSII-UHFFFAOYSA-N
XLogP3.65
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-chlorobenzoyl)amino]-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 5138511
N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-pentylbenzoyl)amino]benzamide
CID 42756012
5-[[(2R)-2-chloro-2-phenylacetyl]amino]-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 98429798
5-[(3-bromobenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-propylbenzamide
CID 42755898
5-benzamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 42752910
N-(2-methoxyethyl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 42756008
N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylbenzoyl)amino]benzamide
CID 3960083
2,6-dimethoxy-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 42755807
5-benzamido-N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 3875300
5-benzamido-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 146060597
5-[(3,4-dimethylphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)benzamide
CID 3953573
N-[3-(dimethylamino)propyl]-5-[(3-methoxybenzoyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 3946307

Frequently Asked Questions

What is the IUPAC name of 5-benzamido-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide?
The IUPAC name of 5-benzamido-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide (CID 5138387) is 5-benzamido-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide.
What is the SMILES notation for 5-benzamido-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide?
The canonical SMILES for 5-benzamido-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide is COCCNC(=O)c1cc(NC(=O)c2ccccc2)ccc1N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 5-benzamido-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide?
The InChIKey is MDYQESPXWAHSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-35-19-14-29-28(34)23-20-22(30-27(33)21-8-4-3-5-9-21)12-13-24(23)31-15-17-32(18-16-31)25-10-6-7-11-26(25)36-2/h3-13,20H,14-19H2,1-2H3,(H,29,34)(H,30,33).
What are the key properties of 5-benzamido-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide?
5-benzamido-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide has a molecular weight of 488.59 g/mol, XLogP of 3.65, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 5138387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).