3-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide

C29H36N4O2 — CID 67374524

IUPAC3-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1-c1ccc(CNCCN(C)C)cc1
InChIInChI=1S/C29H36N4O2/c1-22-4-7-25(20-28(22)24-8-5-23(6-9-24)21-30-14-15-32(2)3)29(34)31-26-10-12-27(13-11-26)33-16-18-35-19-17-33/h4-13,20,30H,14-19,21H2,1-3H3,(H,31,34)
InChIKeyICOFECXPHPQAFY-UHFFFAOYSA-N
MW472.63 g/mol
LogP4.40
Rot. Bonds9

About 3-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide

3-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 67374524) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is 3-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID67374524
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC Name3-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1-c1ccc(CNCCN(C)C)cc1
InChIInChI=1S/C29H36N4O2/c1-22-4-7-25(20-28(22)24-8-5-23(6-9-24)21-30-14-15-32(2)3)29(34)31-26-10-12-27(13-11-26)33-16-18-35-19-17-33/h4-13,20,30H,14-19,21H2,1-3H3,(H,31,34)
InChIKeyICOFECXPHPQAFY-UHFFFAOYSA-N
XLogP4.40
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-methyl-3-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 67373018
3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 17467075
3-(4-aminoquinazolin-6-yl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 58829111
3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 174437444
3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524291
3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269159
N,N-dimethyl-4-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 70703870
4-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524767
N,N-dimethyl-3-[(4-morpholin-4-ylphenyl)methylamino]propanamide
CID 60926491
N-[2-(dimethylamino)ethyl]-4-[[[4-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]carbamoylamino]methyl]benzamide
CID 91152498
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide (CID 67374524) is 3-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide is Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1-c1ccc(CNCCN(C)C)cc1.
What is the InChIKey of 3-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is ICOFECXPHPQAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2/c1-22-4-7-25(20-28(22)24-8-5-23(6-9-24)21-30-14-15-32(2)3)29(34)31-26-10-12-27(13-11-26)33-16-18-35-19-17-33/h4-13,20,30H,14-19,21H2,1-3H3,(H,31,34).
What are the key properties of 3-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide?
3-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 472.63 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 67374524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).