2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide

C24H40N4O3 — CID 42747432

IUPAC2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide
SMILESCC(CC(=O)Nc1ccc(N(C)C)c(C(=O)NCCN2CCOCC2)c1)CC(C)(C)C
InChIInChI=1S/C24H40N4O3/c1-18(17-24(2,3)4)15-22(29)26-19-7-8-21(27(5)6)20(16-19)23(30)25-9-10-28-11-13-31-14-12-28/h7-8,16,18H,9-15,17H2,1-6H3,(H,25,30)(H,26,29)
InChIKeyXHALOZNJHFPCTQ-UHFFFAOYSA-N
MW432.61 g/mol
LogP3.22
Rot. Bonds9

About 2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide

2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide (PubChem CID 42747432) has the molecular formula C24H40N4O3 and a molecular weight of 432.61 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide
PubChem CID42747432
Molecular FormulaC24H40N4O3
Molecular Weight432.61 g/mol
Exact Mass432.31
IUPAC Name2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide
SMILESCC(CC(=O)Nc1ccc(N(C)C)c(C(=O)NCCN2CCOCC2)c1)CC(C)(C)C
InChIInChI=1S/C24H40N4O3/c1-18(17-24(2,3)4)15-22(29)26-19-7-8-21(27(5)6)20(16-19)23(30)25-9-10-28-11-13-31-14-12-28/h7-8,16,18H,9-15,17H2,1-6H3,(H,25,30)(H,26,29)
InChIKeyXHALOZNJHFPCTQ-UHFFFAOYSA-N
XLogP3.22
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 53.22
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

2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(3R)-3,5,5-trimethylhexanoyl]amino]benzamide
CID 7356424
N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-yl-5-(3,5,5-trimethylhexanoylamino)benzamide
CID 42751400
5-[(4-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 42747855
5-[(3,5-dichlorobenzoyl)amino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4588294
2-(dimethylamino)-5-[(4-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 42747418
5-[(3,5-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4265313
2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-[[2-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 42747851
2-(dimethylamino)-5-[(2-methoxybenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 3531074
5-[(2-bromophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 4292194
2-(dimethylamino)-5-[(3-methoxyphenyl)carbamoylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3907319
dimethyl-[3-[[2-pyrrolidin-1-yl-5-[[(3S)-3,5,5-trimethylhexanoyl]amino]benzoyl]amino]propyl]azanium
CID 7129864
5-(butylsulfonylamino)-2-(dimethylamino)-N-(3-morpholin-4-ylpropyl)benzamide
CID 5161419

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide?
The IUPAC name of 2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide (CID 42747432) is 2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide.
What is the SMILES notation for 2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide?
The canonical SMILES for 2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide is CC(CC(=O)Nc1ccc(N(C)C)c(C(=O)NCCN2CCOCC2)c1)CC(C)(C)C.
What is the InChIKey of 2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide?
The InChIKey is XHALOZNJHFPCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4O3/c1-18(17-24(2,3)4)15-22(29)26-19-7-8-21(27(5)6)20(16-19)23(30)25-9-10-28-11-13-31-14-12-28/h7-8,16,18H,9-15,17H2,1-6H3,(H,25,30)(H,26,29).
What are the key properties of 2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide?
2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide has a molecular weight of 432.61 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(2-morpholin-4-ylethyl)-5-(3,5,5-trimethylhexanoylamino)benzamide is sourced from PubChem (CID 42747432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).