4-[butyl(methyl)amino]-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzamide

C26H35N3O3 — CID 60611612

IUPAC4-[butyl(methyl)amino]-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzamide
SMILESCCCCN(C)c1ccc(C(=O)NCc2ccc(C(=O)N3CC(C)OC(C)C3)cc2)cc1
InChIInChI=1S/C26H35N3O3/c1-5-6-15-28(4)24-13-11-22(12-14-24)25(30)27-16-21-7-9-23(10-8-21)26(31)29-17-19(2)32-20(3)18-29/h7-14,19-20H,5-6,15-18H2,1-4H3,(H,27,30)
InChIKeyWBIWFRSJRYMIQM-UHFFFAOYSA-N
MW437.58 g/mol
LogP4.10
Rot. Bonds8

About 4-[butyl(methyl)amino]-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzamide

4-[butyl(methyl)amino]-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzamide (PubChem CID 60611612) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 4-[butyl(methyl)amino]-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[butyl(methyl)amino]-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzamide
PubChem CID60611612
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name4-[butyl(methyl)amino]-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzamide
SMILESCCCCN(C)c1ccc(C(=O)NCc2ccc(C(=O)N3CC(C)OC(C)C3)cc2)cc1
InChIInChI=1S/C26H35N3O3/c1-5-6-15-28(4)24-13-11-22(12-14-24)25(30)27-16-21-7-9-23(10-8-21)26(31)29-17-19(2)32-20(3)18-29/h7-14,19-20H,5-6,15-18H2,1-4H3,(H,27,30)
InChIKeyWBIWFRSJRYMIQM-UHFFFAOYSA-N
XLogP4.10
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide
CID 46417014
5-amino-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylbenzamide
CID 120626034
5-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685308
3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 146081496
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210928
2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid
CID 122055437
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
2,6-dichloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]pyridine-3-carboxamide
CID 71881346
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119752614
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111738824
1-(cyclobutylmethyl)-3-[[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]urea
CID 95225967
1-butyl-2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]guanidine
CID 111083701

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)amino]-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzamide?
The IUPAC name of 4-[butyl(methyl)amino]-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzamide (CID 60611612) is 4-[butyl(methyl)amino]-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-[butyl(methyl)amino]-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-[butyl(methyl)amino]-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzamide is CCCCN(C)c1ccc(C(=O)NCc2ccc(C(=O)N3CC(C)OC(C)C3)cc2)cc1.
What is the InChIKey of 4-[butyl(methyl)amino]-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzamide?
The InChIKey is WBIWFRSJRYMIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-5-6-15-28(4)24-13-11-22(12-14-24)25(30)27-16-21-7-9-23(10-8-21)26(31)29-17-19(2)32-20(3)18-29/h7-14,19-20H,5-6,15-18H2,1-4H3,(H,27,30).
What are the key properties of 4-[butyl(methyl)amino]-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzamide?
4-[butyl(methyl)amino]-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzamide has a molecular weight of 437.58 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)amino]-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzamide is sourced from PubChem (CID 60611612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).