3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide

C30H36N4O3 — CID 174437444

IUPAC3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCCN(CC)Cc1ccc(C(=O)Nc2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)ccc2C)cc1
InChIInChI=1S/C30H36N4O3/c1-4-33(5-2)21-23-7-10-24(11-8-23)29(35)32-28-20-25(9-6-22(28)3)30(36)31-26-12-14-27(15-13-26)34-16-18-37-19-17-34/h6-15,20H,4-5,16-19,21H2,1-3H3,(H,31,36)(H,32,35)
InChIKeyGDWAHDDYSQWBDW-UHFFFAOYSA-N
MW500.64 g/mol
LogP5.18
Rot. Bonds9

About 3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide

3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 174437444) has the molecular formula C30H36N4O3 and a molecular weight of 500.64 g/mol. Its IUPAC name is 3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID174437444
Molecular FormulaC30H36N4O3
Molecular Weight500.64 g/mol
Exact Mass500.28
IUPAC Name3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCCN(CC)Cc1ccc(C(=O)Nc2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)ccc2C)cc1
InChIInChI=1S/C30H36N4O3/c1-4-33(5-2)21-23-7-10-24(11-8-23)29(35)32-28-20-25(9-6-22(28)3)30(36)31-26-12-14-27(15-13-26)34-16-18-37-19-17-34/h6-15,20H,4-5,16-19,21H2,1-3H3,(H,31,36)(H,32,35)
InChIKeyGDWAHDDYSQWBDW-UHFFFAOYSA-N
XLogP5.18
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.64
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(diethylaminomethyl)anilino]-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide
CID 70208034
N-[3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methylphenyl]-3-morpholin-4-yl-2-nitrobenzamide
CID 22291010
N-[3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methylphenyl]-2-fluoro-5-pyrrolidin-1-ylbenzamide
CID 152523189
3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269159
3-benzamido-N,4-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55630958
3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 17467075
4-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524767
N-(5-acetyl-2-methylphenyl)-2-(4-morpholin-4-ylphenyl)acetamide
CID 110425585
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
4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-N-(3-morpholin-4-ylphenyl)benzamide
CID 22636122
N,N-dimethyl-4-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 70703870

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide (CID 174437444) is 3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide is CCN(CC)Cc1ccc(C(=O)Nc2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)ccc2C)cc1.
What is the InChIKey of 3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is GDWAHDDYSQWBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O3/c1-4-33(5-2)21-23-7-10-24(11-8-23)29(35)32-28-20-25(9-6-22(28)3)30(36)31-26-12-14-27(15-13-26)34-16-18-37-19-17-34/h6-15,20H,4-5,16-19,21H2,1-3H3,(H,31,36)(H,32,35).
What are the key properties of 3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide?
3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 500.64 g/mol, XLogP of 5.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 174437444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).