3-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide

C24H38N4O3 — CID 56525850

IUPAC3-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC1CN(CC2CCCN2CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC(C)O1
InChIInChI=1S/C24H38N4O3/c1-19-16-26(17-20(2)31-19)18-23-4-3-10-27(23)11-9-24(29)25-21-5-7-22(8-6-21)28-12-14-30-15-13-28/h5-8,19-20,23H,3-4,9-18H2,1-2H3,(H,25,29)
InChIKeySXTWQQYUINUAJL-UHFFFAOYSA-N
MW430.59 g/mol
LogP2.43
Rot. Bonds7

About 3-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide

3-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 56525850) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is 3-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID56525850
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC Name3-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC1CN(CC2CCCN2CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC(C)O1
InChIInChI=1S/C24H38N4O3/c1-19-16-26(17-20(2)31-19)18-23-4-3-10-27(23)11-9-24(29)25-21-5-7-22(8-6-21)28-12-14-30-15-13-28/h5-8,19-20,23H,3-4,9-18H2,1-2H3,(H,25,29)
InChIKeySXTWQQYUINUAJL-UHFFFAOYSA-N
XLogP2.43
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2125723
3-(3-hydroxypiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 71900221
3-(4-hydroxypiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 46683230
N-(4-morpholin-4-ylphenyl)-3-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 42930123
2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4824447
2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 94798443
2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2125724
3-cyclohexyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 7409256
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)propanamide
CID 771352
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]butan-1-ol
CID 110931949
(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-phenylpyrrolidine-1-carboxamide
CID 100841076

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 3-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide (CID 56525850) is 3-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 3-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide is CC1CN(CC2CCCN2CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC(C)O1.
What is the InChIKey of 3-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is SXTWQQYUINUAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O3/c1-19-16-26(17-20(2)31-19)18-23-4-3-10-27(23)11-9-24(29)25-21-5-7-22(8-6-21)28-12-14-30-15-13-28/h5-8,19-20,23H,3-4,9-18H2,1-2H3,(H,25,29).
What are the key properties of 3-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide?
3-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 430.59 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 56525850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).