2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide

C22H28N2O3 — CID 110316961

IUPAC2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide
SMILESCOc1ccc(C(C(=O)Nc2ccccc2N2CCOCC2)C(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-16(2)21(17-8-10-18(26-3)11-9-17)22(25)23-19-6-4-5-7-20(19)24-12-14-27-15-13-24/h4-11,16,21H,12-15H2,1-3H3,(H,23,25)
InChIKeyPRSFNNUFWMBWRI-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.91
Rot. Bonds6

About 2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide

2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide (PubChem CID 110316961) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide
PubChem CID110316961
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide
SMILESCOc1ccc(C(C(=O)Nc2ccccc2N2CCOCC2)C(C)C)cc1
InChIInChI=1S/C22H28N2O3/c1-16(2)21(17-8-10-18(26-3)11-9-17)22(25)23-19-6-4-5-7-20(19)24-12-14-27-15-13-24/h4-11,16,21H,12-15H2,1-3H3,(H,23,25)
InChIKeyPRSFNNUFWMBWRI-UHFFFAOYSA-N
XLogP3.91
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
2-bromo-N-(2-morpholin-4-ylphenyl)propanamide
CID 107903089
(2S)-2-(4-acetylphenoxy)-N-(2-morpholin-4-ylphenyl)propanamide
CID 40791637
(E)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)but-2-enamide
CID 110297163
2-(4-methoxyphenoxy)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 51327229
1-(3-methoxyphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108869153
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide
CID 110316912
2-(4-methoxyphenoxy)-N-(2-piperidin-1-ylphenyl)propanamide
CID 42935521
2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603
N-(4-methoxyphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109009136
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)pentanamide
CID 110297867
2-[2-(4-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid
CID 175652884

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide?
The IUPAC name of 2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide (CID 110316961) is 2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide?
The canonical SMILES for 2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide is COc1ccc(C(C(=O)Nc2ccccc2N2CCOCC2)C(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide?
The InChIKey is PRSFNNUFWMBWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16(2)21(17-8-10-18(26-3)11-9-17)22(25)23-19-6-4-5-7-20(19)24-12-14-27-15-13-24/h4-11,16,21H,12-15H2,1-3H3,(H,23,25).
What are the key properties of 2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide?
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide has a molecular weight of 368.48 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide is sourced from PubChem (CID 110316961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).