2-[[2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide

C28H32N4O4 — CID 55848719

IUPAC2-[[2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)CN2CCN(C(=O)c3cc(C)oc3C)CC2)cc1
InChIInChI=1S/C28H32N4O4/c1-19-8-10-22(11-9-19)17-29-27(34)23-6-4-5-7-25(23)30-26(33)18-31-12-14-32(15-13-31)28(35)24-16-20(2)36-21(24)3/h4-11,16H,12-15,17-18H2,1-3H3,(H,29,34)(H,30,33)
InChIKeyKDPCOOMYLRHMKC-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.53
Rot. Bonds7

About 2-[[2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide

2-[[2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 55848719) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is 2-[[2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[[2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID55848719
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC Name2-[[2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)CN2CCN(C(=O)c3cc(C)oc3C)CC2)cc1
InChIInChI=1S/C28H32N4O4/c1-19-8-10-22(11-9-19)17-29-27(34)23-6-4-5-7-25(23)30-26(33)18-31-12-14-32(15-13-31)28(35)24-16-20(2)36-21(24)3/h4-11,16H,12-15,17-18H2,1-3H3,(H,29,34)(H,30,33)
InChIKeyKDPCOOMYLRHMKC-UHFFFAOYSA-N
XLogP3.53
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]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

2-[[2-(4-acetylpiperazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 7998622
N-(4-bromo-2-chlorophenyl)-2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetamide
CID 55847694
N-[(4-methylphenyl)methyl]-2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 55362722
2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 60504487
N-[(4-methylphenyl)methyl]-2-[[2-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 56542148
N-benzyl-2-[[2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 46614142
2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 52891720
N-benzyl-2-[[2-[4-(2-phenoxyethyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55410746
N-(2-acetylphenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetamide
CID 35252913
N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide
CID 55668082
N-[(3-methylphenyl)methyl]-2-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]amino]benzamide
CID 50969408
3-[2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid
CID 16539223

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 2-[[2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide (CID 55848719) is 2-[[2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-[[2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-[[2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN2CCN(C(=O)c3cc(C)oc3C)CC2)cc1.
What is the InChIKey of 2-[[2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is KDPCOOMYLRHMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-19-8-10-22(11-9-19)17-29-27(34)23-6-4-5-7-25(23)30-26(33)18-31-12-14-32(15-13-31)28(35)24-16-20(2)36-21(24)3/h4-11,16H,12-15,17-18H2,1-3H3,(H,29,34)(H,30,33).
What are the key properties of 2-[[2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
2-[[2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 488.59 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 55848719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).