3-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)propanamide

C21H27N3O3 — CID 109022218

IUPAC3-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)propanamide
SMILESCOc1ccccc1CNCCC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C21H27N3O3/c1-26-20-9-5-2-6-17(20)16-22-11-10-21(25)23-18-7-3-4-8-19(18)24-12-14-27-15-13-24/h2-9,22H,10-16H2,1H3,(H,23,25)
InChIKeyLMYPSEDFRYIRPK-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.65
Rot. Bonds8

About 3-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)propanamide

3-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)propanamide (PubChem CID 109022218) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)propanamide
PubChem CID109022218
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name3-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)propanamide
SMILESCOc1ccccc1CNCCC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C21H27N3O3/c1-26-20-9-5-2-6-17(20)16-22-11-10-21(25)23-18-7-3-4-8-19(18)24-12-14-27-15-13-24/h2-9,22H,10-16H2,1H3,(H,23,25)
InChIKeyLMYPSEDFRYIRPK-UHFFFAOYSA-N
XLogP2.65
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677631
N-(2-morpholin-4-ylphenyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024044
2-[(2-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 108996603
2-(2-bromo-4,5-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 17426993
N-(2-bromophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022224
3-(3-methoxyanilino)-N-(2-morpholin-4-ylphenyl)propanamide
CID 109039568
N-(2-ethylphenyl)-3-(2-morpholin-4-ylanilino)propanamide
CID 109036145
2-(2-aminophenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 28712686
N-(2-methoxyphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019344
3-(2-tert-butylanilino)-N-(2-morpholin-4-ylphenyl)propanamide
CID 109037337
2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 3229652
1-[2-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
CID 112971778

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 3-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)propanamide (CID 109022218) is 3-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 3-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)propanamide is COc1ccccc1CNCCC(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 3-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)propanamide?
The InChIKey is LMYPSEDFRYIRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-26-20-9-5-2-6-17(20)16-22-11-10-21(25)23-18-7-3-4-8-19(18)24-12-14-27-15-13-24/h2-9,22H,10-16H2,1H3,(H,23,25).
What are the key properties of 3-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)propanamide?
3-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)propanamide has a molecular weight of 369.47 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 109022218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).