4-[3-(2,6-dimethylmorpholin-4-yl)propanoylamino]-N-(2-methoxyphenyl)benzamide

C23H29N3O4 — CID 46682622

IUPAC4-[3-(2,6-dimethylmorpholin-4-yl)propanoylamino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CCN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C23H29N3O4/c1-16-14-26(15-17(2)30-16)13-12-22(27)24-19-10-8-18(9-11-19)23(28)25-20-6-4-5-7-21(20)29-3/h4-11,16-17H,12-15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyCZPFDHIFAFTNIS-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.39
Rot. Bonds7

About 4-[3-(2,6-dimethylmorpholin-4-yl)propanoylamino]-N-(2-methoxyphenyl)benzamide

4-[3-(2,6-dimethylmorpholin-4-yl)propanoylamino]-N-(2-methoxyphenyl)benzamide (PubChem CID 46682622) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 4-[3-(2,6-dimethylmorpholin-4-yl)propanoylamino]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[3-(2,6-dimethylmorpholin-4-yl)propanoylamino]-N-(2-methoxyphenyl)benzamide
PubChem CID46682622
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name4-[3-(2,6-dimethylmorpholin-4-yl)propanoylamino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CCN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C23H29N3O4/c1-16-14-26(15-17(2)30-16)13-12-22(27)24-19-10-8-18(9-11-19)23(28)25-20-6-4-5-7-21(20)29-3/h4-11,16-17H,12-15H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyCZPFDHIFAFTNIS-UHFFFAOYSA-N
XLogP3.39
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide
CID 24588538
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)propanamide
CID 771352
3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 63282614
N-(2-methoxyphenyl)-4-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 7998968
N-(2,5-dimethoxyphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 739992
4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43048352
4-[3-[cyclopropyl-(4-methylcyclohexyl)amino]propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 56525116
N-(5-chloro-2-methoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide
CID 51302513
3-(2,6-dimethylmorpholin-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide chloride
CID 53350774
4-[(2-cyclopentylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 9244990
4-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 11940884
4-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 8930945

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,6-dimethylmorpholin-4-yl)propanoylamino]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[3-(2,6-dimethylmorpholin-4-yl)propanoylamino]-N-(2-methoxyphenyl)benzamide (CID 46682622) is 4-[3-(2,6-dimethylmorpholin-4-yl)propanoylamino]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[3-(2,6-dimethylmorpholin-4-yl)propanoylamino]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[3-(2,6-dimethylmorpholin-4-yl)propanoylamino]-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)CCN2CC(C)OC(C)C2)cc1.
What is the InChIKey of 4-[3-(2,6-dimethylmorpholin-4-yl)propanoylamino]-N-(2-methoxyphenyl)benzamide?
The InChIKey is CZPFDHIFAFTNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-16-14-26(15-17(2)30-16)13-12-22(27)24-19-10-8-18(9-11-19)23(28)25-20-6-4-5-7-21(20)29-3/h4-11,16-17H,12-15H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 4-[3-(2,6-dimethylmorpholin-4-yl)propanoylamino]-N-(2-methoxyphenyl)benzamide?
4-[3-(2,6-dimethylmorpholin-4-yl)propanoylamino]-N-(2-methoxyphenyl)benzamide has a molecular weight of 411.50 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-dimethylmorpholin-4-yl)propanoylamino]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 46682622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).