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

C29H36N4O2 — CID 70208034

IUPAC3-[4-(diethylaminomethyl)anilino]-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide
SMILESCCN(CC)Cc1ccc(Nc2cc(C(=O)Nc3cccc(N4CCOCC4)c3)ccc2C)cc1
InChIInChI=1S/C29H36N4O2/c1-4-32(5-2)21-23-10-13-25(14-11-23)30-28-19-24(12-9-22(28)3)29(34)31-26-7-6-8-27(20-26)33-15-17-35-18-16-33/h6-14,19-20,30H,4-5,15-18,21H2,1-3H3,(H,31,34)
InChIKeyKOSXZQBUPDLSHX-UHFFFAOYSA-N
MW472.63 g/mol
LogP5.67
Rot. Bonds9

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

3-[4-(diethylaminomethyl)anilino]-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide (PubChem CID 70208034) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is 3-[4-(diethylaminomethyl)anilino]-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3-[4-(diethylaminomethyl)anilino]-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide
PubChem CID70208034
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC Name3-[4-(diethylaminomethyl)anilino]-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide
SMILESCCN(CC)Cc1ccc(Nc2cc(C(=O)Nc3cccc(N4CCOCC4)c3)ccc2C)cc1
InChIInChI=1S/C29H36N4O2/c1-4-32(5-2)21-23-10-13-25(14-11-23)30-28-19-24(12-9-22(28)3)29(34)31-26-7-6-8-27(20-26)33-15-17-35-18-16-33/h6-14,19-20,30H,4-5,15-18,21H2,1-3H3,(H,31,34)
InChIKeyKOSXZQBUPDLSHX-UHFFFAOYSA-N
XLogP5.67
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 174437444
4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-N-(3-morpholin-4-ylphenyl)benzamide
CID 22636122
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-bromo-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362330
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
3-(methanesulfonamido)-N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]benzamide
CID 22291112
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208
4-bromo-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 55978304
3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide
CID 86821869
N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 11327642
3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269159

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylaminomethyl)anilino]-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3-[4-(diethylaminomethyl)anilino]-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide (CID 70208034) is 3-[4-(diethylaminomethyl)anilino]-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3-[4-(diethylaminomethyl)anilino]-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3-[4-(diethylaminomethyl)anilino]-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide is CCN(CC)Cc1ccc(Nc2cc(C(=O)Nc3cccc(N4CCOCC4)c3)ccc2C)cc1.
What is the InChIKey of 3-[4-(diethylaminomethyl)anilino]-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide?
The InChIKey is KOSXZQBUPDLSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2/c1-4-32(5-2)21-23-10-13-25(14-11-23)30-28-19-24(12-9-22(28)3)29(34)31-26-7-6-8-27(20-26)33-15-17-35-18-16-33/h6-14,19-20,30H,4-5,15-18,21H2,1-3H3,(H,31,34).
What are the key properties of 3-[4-(diethylaminomethyl)anilino]-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide?
3-[4-(diethylaminomethyl)anilino]-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide has a molecular weight of 472.63 g/mol, XLogP of 5.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylaminomethyl)anilino]-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 70208034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).