N-[5-[(3-ethoxybenzoyl)amino]-2-methylphenyl]-2-methyl-3-(4-methylpiperazin-1-yl)benzamide

C29H34N4O3 — CID 23443332

IUPACN-[5-[(3-ethoxybenzoyl)amino]-2-methylphenyl]-2-methyl-3-(4-methylpiperazin-1-yl)benzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(C)c(NC(=O)c3cccc(N4CCN(C)CC4)c3C)c2)c1
InChIInChI=1S/C29H34N4O3/c1-5-36-24-9-6-8-22(18-24)28(34)30-23-13-12-20(2)26(19-23)31-29(35)25-10-7-11-27(21(25)3)33-16-14-32(4)15-17-33/h6-13,18-19H,5,14-17H2,1-4H3,(H,30,34)(H,31,35)
InChIKeyDGGVUUVEAFJSFC-UHFFFAOYSA-N
MW486.62 g/mol
LogP4.96
Rot. Bonds7

About N-[5-[(3-ethoxybenzoyl)amino]-2-methylphenyl]-2-methyl-3-(4-methylpiperazin-1-yl)benzamide

N-[5-[(3-ethoxybenzoyl)amino]-2-methylphenyl]-2-methyl-3-(4-methylpiperazin-1-yl)benzamide (PubChem CID 23443332) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is N-[5-[(3-ethoxybenzoyl)amino]-2-methylphenyl]-2-methyl-3-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-[(3-ethoxybenzoyl)amino]-2-methylphenyl]-2-methyl-3-(4-methylpiperazin-1-yl)benzamide
PubChem CID23443332
Molecular FormulaC29H34N4O3
Molecular Weight486.62 g/mol
Exact Mass486.26
IUPAC NameN-[5-[(3-ethoxybenzoyl)amino]-2-methylphenyl]-2-methyl-3-(4-methylpiperazin-1-yl)benzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(C)c(NC(=O)c3cccc(N4CCN(C)CC4)c3C)c2)c1
InChIInChI=1S/C29H34N4O3/c1-5-36-24-9-6-8-22(18-24)28(34)30-23-13-12-20(2)26(19-23)31-29(35)25-10-7-11-27(21(25)3)33-16-14-32(4)15-17-33/h6-13,18-19H,5,14-17H2,1-4H3,(H,30,34)(H,31,35)
InChIKeyDGGVUUVEAFJSFC-UHFFFAOYSA-N
XLogP4.96
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetamido-2-methylphenyl)-3-ethoxybenzamide
CID 108788826
3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 834145
3-ethoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide
CID 46761087
2-[[3-[(3-ethoxybenzoyl)amino]benzoyl]amino]benzoic acid
CID 17297003
3-ethoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 3557458
methyl 5-[(3-ethoxybenzoyl)amino]-2-morpholin-4-ylbenzoate
CID 6463110
N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-3-ethoxybenzamide
CID 17358573
N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-propoxybenzamide
CID 91675876
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-methoxy-3-methylbenzamide
CID 6461050
2-chloro-5-[(3-ethoxybenzoyl)amino]benzoic acid
CID 28672085
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-ethoxybenzoyl)amino]-2-methylphenyl]-2-methyl-3-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[5-[(3-ethoxybenzoyl)amino]-2-methylphenyl]-2-methyl-3-(4-methylpiperazin-1-yl)benzamide (CID 23443332) is N-[5-[(3-ethoxybenzoyl)amino]-2-methylphenyl]-2-methyl-3-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[5-[(3-ethoxybenzoyl)amino]-2-methylphenyl]-2-methyl-3-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[5-[(3-ethoxybenzoyl)amino]-2-methylphenyl]-2-methyl-3-(4-methylpiperazin-1-yl)benzamide is CCOc1cccc(C(=O)Nc2ccc(C)c(NC(=O)c3cccc(N4CCN(C)CC4)c3C)c2)c1.
What is the InChIKey of N-[5-[(3-ethoxybenzoyl)amino]-2-methylphenyl]-2-methyl-3-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is DGGVUUVEAFJSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O3/c1-5-36-24-9-6-8-22(18-24)28(34)30-23-13-12-20(2)26(19-23)31-29(35)25-10-7-11-27(21(25)3)33-16-14-32(4)15-17-33/h6-13,18-19H,5,14-17H2,1-4H3,(H,30,34)(H,31,35).
What are the key properties of N-[5-[(3-ethoxybenzoyl)amino]-2-methylphenyl]-2-methyl-3-(4-methylpiperazin-1-yl)benzamide?
N-[5-[(3-ethoxybenzoyl)amino]-2-methylphenyl]-2-methyl-3-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 486.62 g/mol, XLogP of 4.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-ethoxybenzoyl)amino]-2-methylphenyl]-2-methyl-3-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 23443332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).