4-methyl-3-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-(4-morpholin-4-ylphenyl)benzamide

C33H33N3O3 — CID 67373018

IUPAC4-methyl-3-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCc1cccc(CNC(=O)c2ccc(-c3cc(C(=O)Nc4ccc(N5CCOCC5)cc4)ccc3C)cc2)c1
InChIInChI=1S/C33H33N3O3/c1-23-4-3-5-25(20-23)22-34-32(37)27-10-8-26(9-11-27)31-21-28(7-6-24(31)2)33(38)35-29-12-14-30(15-13-29)36-16-18-39-19-17-36/h3-15,20-21H,16-19,22H2,1-2H3,(H,34,37)(H,35,38)
InChIKeyHPERBMULKSRCMB-UHFFFAOYSA-N
MW519.65 g/mol
LogP5.99
Rot. Bonds7

About 4-methyl-3-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-(4-morpholin-4-ylphenyl)benzamide

4-methyl-3-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 67373018) has the molecular formula C33H33N3O3 and a molecular weight of 519.65 g/mol. Its IUPAC name is 4-methyl-3-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name4-methyl-3-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID67373018
Molecular FormulaC33H33N3O3
Molecular Weight519.65 g/mol
Exact Mass519.25
IUPAC Name4-methyl-3-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCc1cccc(CNC(=O)c2ccc(-c3cc(C(=O)Nc4ccc(N5CCOCC5)cc4)ccc3C)cc2)c1
InChIInChI=1S/C33H33N3O3/c1-23-4-3-5-25(20-23)22-34-32(37)27-10-8-26(9-11-27)31-21-28(7-6-24(31)2)33(38)35-29-12-14-30(15-13-29)36-16-18-39-19-17-36/h3-15,20-21H,16-19,22H2,1-2H3,(H,34,37)(H,35,38)
InChIKeyHPERBMULKSRCMB-UHFFFAOYSA-N
XLogP5.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.65
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 67374524
N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 110295113
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 17467075
1-[(3-methylphenyl)methyl]-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108988759
3-(4-aminoquinazolin-6-yl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 58829111
N-[(3-fluorophenyl)methyl]-3-[(4-methylphenyl)carbamoylamino]-4-morpholin-4-ylbenzamide
CID 46348983
3-methyl-N-[3-(4-morpholin-4-ylphenyl)propyl]benzamide
CID 16890049
1-[(3-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108898186
4-methyl-N-[4-[(3-methylphenyl)methylamino]phenyl]benzamide
CID 112982081
4-(cyclopropanecarbonylamino)-N-[(3-methylphenyl)methyl]benzamide
CID 33279074
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 4-methyl-3-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-(4-morpholin-4-ylphenyl)benzamide (CID 67373018) is 4-methyl-3-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 4-methyl-3-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 4-methyl-3-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-(4-morpholin-4-ylphenyl)benzamide is Cc1cccc(CNC(=O)c2ccc(-c3cc(C(=O)Nc4ccc(N5CCOCC5)cc4)ccc3C)cc2)c1.
What is the InChIKey of 4-methyl-3-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is HPERBMULKSRCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O3/c1-23-4-3-5-25(20-23)22-34-32(37)27-10-8-26(9-11-27)31-21-28(7-6-24(31)2)33(38)35-29-12-14-30(15-13-29)36-16-18-39-19-17-36/h3-15,20-21H,16-19,22H2,1-2H3,(H,34,37)(H,35,38).
What are the key properties of 4-methyl-3-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-(4-morpholin-4-ylphenyl)benzamide?
4-methyl-3-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 519.65 g/mol, XLogP of 5.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[4-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 67373018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).