4-morpholin-4-yl-N-[4-[4-(propylamino)benzoyl]phenyl]benzamide

C27H29N3O3 — CID 67112698

IUPAC4-morpholin-4-yl-N-[4-[4-(propylamino)benzoyl]phenyl]benzamide
SMILESCCCNc1ccc(C(=O)c2ccc(NC(=O)c3ccc(N4CCOCC4)cc3)cc2)cc1
InChIInChI=1S/C27H29N3O3/c1-2-15-28-23-9-3-20(4-10-23)26(31)21-5-11-24(12-6-21)29-27(32)22-7-13-25(14-8-22)30-16-18-33-19-17-30/h3-14,28H,2,15-19H2,1H3,(H,29,32)
InChIKeyKIPUKAIUTIEOKS-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.83
Rot. Bonds8

About 4-morpholin-4-yl-N-[4-[4-(propylamino)benzoyl]phenyl]benzamide

4-morpholin-4-yl-N-[4-[4-(propylamino)benzoyl]phenyl]benzamide (PubChem CID 67112698) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[4-[4-(propylamino)benzoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[4-[4-(propylamino)benzoyl]phenyl]benzamide
PubChem CID67112698
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name4-morpholin-4-yl-N-[4-[4-(propylamino)benzoyl]phenyl]benzamide
SMILESCCCNc1ccc(C(=O)c2ccc(NC(=O)c3ccc(N4CCOCC4)cc3)cc2)cc1
InChIInChI=1S/C27H29N3O3/c1-2-15-28-23-9-3-20(4-10-23)26(31)21-5-11-24(12-6-21)29-27(32)22-7-13-25(14-8-22)30-16-18-33-19-17-30/h3-14,28H,2,15-19H2,1H3,(H,29,32)
InChIKeyKIPUKAIUTIEOKS-UHFFFAOYSA-N
XLogP4.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-morpholin-4-yl-N-[4-[4-(propylamino)benzoyl]phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N,N-dimethyl-4-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 70703870
1-(4-morpholin-4-ylphenyl)-3-propylurea
CID 2788991
3-fluoro-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 17467075
N-butyl-4-morpholin-4-ylaniline
CID 28675754
N-tert-butyl-4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide
CID 31699427
2-methyl-3-[4-[(4-morpholin-4-ylbenzoyl)amino]phenyl]propanoic acid
CID 120541058
3-(diethylsulfamoyl)-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269159
N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]-4-piperazin-1-ylbenzamide
CID 67112495
4-tert-butyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 17475542
4-ethoxy-3-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 100524767

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[4-[4-(propylamino)benzoyl]phenyl]benzamide?
The IUPAC name of 4-morpholin-4-yl-N-[4-[4-(propylamino)benzoyl]phenyl]benzamide (CID 67112698) is 4-morpholin-4-yl-N-[4-[4-(propylamino)benzoyl]phenyl]benzamide.
What is the SMILES notation for 4-morpholin-4-yl-N-[4-[4-(propylamino)benzoyl]phenyl]benzamide?
The canonical SMILES for 4-morpholin-4-yl-N-[4-[4-(propylamino)benzoyl]phenyl]benzamide is CCCNc1ccc(C(=O)c2ccc(NC(=O)c3ccc(N4CCOCC4)cc3)cc2)cc1.
What is the InChIKey of 4-morpholin-4-yl-N-[4-[4-(propylamino)benzoyl]phenyl]benzamide?
The InChIKey is KIPUKAIUTIEOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-2-15-28-23-9-3-20(4-10-23)26(31)21-5-11-24(12-6-21)29-27(32)22-7-13-25(14-8-22)30-16-18-33-19-17-30/h3-14,28H,2,15-19H2,1H3,(H,29,32).
What are the key properties of 4-morpholin-4-yl-N-[4-[4-(propylamino)benzoyl]phenyl]benzamide?
4-morpholin-4-yl-N-[4-[4-(propylamino)benzoyl]phenyl]benzamide has a molecular weight of 443.55 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[4-[4-(propylamino)benzoyl]phenyl]benzamide is sourced from PubChem (CID 67112698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).