2-[2-(4-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid

C23H29N3O7 — CID 175652884

IUPAC2-[2-(4-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid
SMILESCOc1ccc(CCNCC(=O)Nc2ccccc2N2CCOCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C21H27N3O3.C2H2O4/c1-26-18-8-6-17(7-9-18)10-11-22-16-21(25)23-19-4-2-3-5-20(19)24-12-14-27-15-13-24;3-1(4)2(5)6/h2-9,22H,10-16H2,1H3,(H,23,25);(H,3,4)(H,5,6)
InChIKeyILYJZVHBCQKXTP-UHFFFAOYSA-N
MW459.50 g/mol
LogP1.46
Rot. Bonds8

About 2-[2-(4-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid

2-[2-(4-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid (PubChem CID 175652884) has the molecular formula C23H29N3O7 and a molecular weight of 459.50 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid
PubChem CID175652884
Molecular FormulaC23H29N3O7
Molecular Weight459.50 g/mol
Exact Mass459.20
IUPAC Name2-[2-(4-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid
SMILESCOc1ccc(CCNCC(=O)Nc2ccccc2N2CCOCC2)cc1.O=C(O)C(=O)O
InChIInChI=1S/C21H27N3O3.C2H2O4/c1-26-18-8-6-17(7-9-18)10-11-22-16-21(25)23-19-4-2-3-5-20(19)24-12-14-27-15-13-24;3-1(4)2(5)6/h2-9,22H,10-16H2,1H3,(H,23,25);(H,3,4)(H,5,6)
InChIKeyILYJZVHBCQKXTP-UHFFFAOYSA-N
XLogP1.46
TPSA137.43 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)pentanamide
CID 110297867
N-(4-methoxyphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109009136
2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109005860
2-(3-methoxyanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109009056
2-(3-ethoxypropylamino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 645222
2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 3229652
2-[2-(4-methoxyphenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3226692
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110316961
2-[(2-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 108996603
2-(2-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677631
3-(3-methoxyanilino)-N-(2-morpholin-4-ylphenyl)propanamide
CID 109039568
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid (CID 175652884) is 2-[2-(4-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid is COc1ccc(CCNCC(=O)Nc2ccccc2N2CCOCC2)cc1.O=C(O)C(=O)O.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid?
The InChIKey is ILYJZVHBCQKXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3.C2H2O4/c1-26-18-8-6-17(7-9-18)10-11-22-16-21(25)23-19-4-2-3-5-20(19)24-12-14-27-15-13-24;3-1(4)2(5)6/h2-9,22H,10-16H2,1H3,(H,23,25);(H,3,4)(H,5,6).
What are the key properties of 2-[2-(4-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid?
2-[2-(4-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid has a molecular weight of 459.50 g/mol, XLogP of 1.46, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid is sourced from PubChem (CID 175652884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).