N-(4-morpholin-4-ylphenyl)-2-(2-propylanilino)acetamide

C21H27N3O2 — CID 33171709

IUPACN-(4-morpholin-4-ylphenyl)-2-(2-propylanilino)acetamide
SMILESCCCc1ccccc1NCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H27N3O2/c1-2-5-17-6-3-4-7-20(17)22-16-21(25)23-18-8-10-19(11-9-18)24-12-14-26-15-13-24/h3-4,6-11,22H,2,5,12-16H2,1H3,(H,23,25)
InChIKeyJMUADZIOLCLUPO-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.53
Rot. Bonds7

About N-(4-morpholin-4-ylphenyl)-2-(2-propylanilino)acetamide

N-(4-morpholin-4-ylphenyl)-2-(2-propylanilino)acetamide (PubChem CID 33171709) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2-(2-propylanilino)acetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-2-(2-propylanilino)acetamide
PubChem CID33171709
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(4-morpholin-4-ylphenyl)-2-(2-propylanilino)acetamide
SMILESCCCc1ccccc1NCC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H27N3O2/c1-2-5-17-6-3-4-7-20(17)22-16-21(25)23-18-8-10-19(11-9-18)24-12-14-26-15-13-24/h3-4,6-11,22H,2,5,12-16H2,1H3,(H,23,25)
InChIKeyJMUADZIOLCLUPO-UHFFFAOYSA-N
XLogP3.53
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 37480616
2-(2-acetylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 18078616
2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109007621
2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109007619
2-(2-morpholin-4-ylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109010529
2-(ethylamino)-N-(4-morpholin-4-ylphenyl)acetamide;dihydrochloride
CID 20847919
2-[2-(2,6-dimethylphenoxy)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 60587672
N-(4-methoxyphenyl)-2-(2-morpholin-4-ylanilino)acetamide
CID 109009136
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592918
2-(2-methoxy-5-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 9099925
methyl 4-[[2-(2-morpholin-4-ylanilino)acetyl]amino]benzoate
CID 109010194

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2-(2-propylanilino)acetamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2-(2-propylanilino)acetamide (CID 33171709) is N-(4-morpholin-4-ylphenyl)-2-(2-propylanilino)acetamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2-(2-propylanilino)acetamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2-(2-propylanilino)acetamide is CCCc1ccccc1NCC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2-(2-propylanilino)acetamide?
The InChIKey is JMUADZIOLCLUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-2-5-17-6-3-4-7-20(17)22-16-21(25)23-18-8-10-19(11-9-18)24-12-14-26-15-13-24/h3-4,6-11,22H,2,5,12-16H2,1H3,(H,23,25).
What are the key properties of N-(4-morpholin-4-ylphenyl)-2-(2-propylanilino)acetamide?
N-(4-morpholin-4-ylphenyl)-2-(2-propylanilino)acetamide has a molecular weight of 353.47 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-2-(2-propylanilino)acetamide is sourced from PubChem (CID 33171709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).