4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide

C30H42N4O4 — CID 2864244

IUPAC4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide
SMILESO=C(NCCCCCCNC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C30H42N4O4/c35-29(27-9-5-25(6-10-27)23-33-15-19-37-20-16-33)31-13-3-1-2-4-14-32-30(36)28-11-7-26(8-12-28)24-34-17-21-38-22-18-34/h5-12H,1-4,13-24H2,(H,31,35)(H,32,36)
InChIKeyACURDRQXKIRSTR-UHFFFAOYSA-N
MW522.69 g/mol
LogP3.07
Rot. Bonds13

About 4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide

4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide (PubChem CID 2864244) has the molecular formula C30H42N4O4 and a molecular weight of 522.69 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide
PubChem CID2864244
Molecular FormulaC30H42N4O4
Molecular Weight522.69 g/mol
Exact Mass522.32
IUPAC Name4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide
SMILESO=C(NCCCCCCNC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C30H42N4O4/c35-29(27-9-5-25(6-10-27)23-33-15-19-37-20-16-33)31-13-3-1-2-4-14-32-30(36)28-11-7-26(8-12-28)24-34-17-21-38-22-18-34/h5-12H,1-4,13-24H2,(H,31,35)(H,32,36)
InChIKeyACURDRQXKIRSTR-UHFFFAOYSA-N
XLogP3.07
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.69
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]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

N-(2-aminoethyl)-4-(morpholin-4-ylmethyl)benzamide
CID 84614014
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
4-[(4-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 92682310
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
N-(3-methylbutan-2-yl)-4-(morpholin-4-ylmethyl)benzamide
CID 133244954
N-[2-(hydroxyamino)ethyl]-4-[1-[4-(morpholin-4-ylmethyl)phenyl]-2-oxopropyl]benzamide
CID 174859874
3-(morpholin-4-ylmethyl)-N-pentylbenzamide
CID 92685635
4-[4-(morpholin-4-ylmethyl)phenyl]-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577401
4-[(3-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 43905022
3,4-dimethyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17397484
4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 59001075

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide?
The IUPAC name of 4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide (CID 2864244) is 4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide?
The canonical SMILES for 4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide is O=C(NCCCCCCNC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide?
The InChIKey is ACURDRQXKIRSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N4O4/c35-29(27-9-5-25(6-10-27)23-33-15-19-37-20-16-33)31-13-3-1-2-4-14-32-30(36)28-11-7-26(8-12-28)24-34-17-21-38-22-18-34/h5-12H,1-4,13-24H2,(H,31,35)(H,32,36).
What are the key properties of 4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide?
4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide has a molecular weight of 522.69 g/mol, XLogP of 3.07, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide is sourced from PubChem (CID 2864244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).