methyl 3-(4-morpholin-4-ylanilino)propanoate

C14H20N2O3 — CID 63180474

IUPACmethyl 3-(4-morpholin-4-ylanilino)propanoate
SMILESCOC(=O)CCNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H20N2O3/c1-18-14(17)6-7-15-12-2-4-13(5-3-12)16-8-10-19-11-9-16/h2-5,15H,6-11H2,1H3
InChIKeyHPJUNCFBSSPNIW-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.50
Rot. Bonds5

About methyl 3-(4-morpholin-4-ylanilino)propanoate

methyl 3-(4-morpholin-4-ylanilino)propanoate (PubChem CID 63180474) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 3-(4-morpholin-4-ylanilino)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-morpholin-4-ylanilino)propanoate
PubChem CID63180474
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 3-(4-morpholin-4-ylanilino)propanoate
SMILESCOC(=O)CCNc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H20N2O3/c1-18-14(17)6-7-15-12-2-4-13(5-3-12)16-8-10-19-11-9-16/h2-5,15H,6-11H2,1H3
InChIKeyHPJUNCFBSSPNIW-UHFFFAOYSA-N
XLogP1.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(4-morpholin-4-ylanilino)-4-oxobutanoate
CID 51985182
N-butyl-4-morpholin-4-ylaniline
CID 28675754
N-(3-methylbutyl)-4-morpholin-4-ylaniline
CID 28675688
N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine
CID 107444694
4-morpholin-4-yl-N-(2-propan-2-yloxyethyl)aniline
CID 55025471
2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid
CID 104644459
2-(4-morpholin-4-ylanilino)-N-propan-2-ylacetamide
CID 60647079
1-(4-methylpiperazin-1-yl)-3-[4-(4-methylpiperazin-1-yl)anilino]propan-1-one
CID 109017319
N-(3-ethylsulfonylpropyl)-4-morpholin-4-ylaniline
CID 65093375
N-(cyanomethyl)-2-(4-morpholin-4-ylanilino)acetamide
CID 63180100
N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
CID 20785895
4-morpholin-4-yl-N-[4-[4-(propylamino)benzoyl]phenyl]benzamide
CID 67112698

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-morpholin-4-ylanilino)propanoate?
The IUPAC name of methyl 3-(4-morpholin-4-ylanilino)propanoate (CID 63180474) is methyl 3-(4-morpholin-4-ylanilino)propanoate.
What is the SMILES notation for methyl 3-(4-morpholin-4-ylanilino)propanoate?
The canonical SMILES for methyl 3-(4-morpholin-4-ylanilino)propanoate is COC(=O)CCNc1ccc(N2CCOCC2)cc1.
What is the InChIKey of methyl 3-(4-morpholin-4-ylanilino)propanoate?
The InChIKey is HPJUNCFBSSPNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-14(17)6-7-15-12-2-4-13(5-3-12)16-8-10-19-11-9-16/h2-5,15H,6-11H2,1H3.
What are the key properties of methyl 3-(4-morpholin-4-ylanilino)propanoate?
methyl 3-(4-morpholin-4-ylanilino)propanoate has a molecular weight of 264.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-morpholin-4-ylanilino)propanoate is sourced from PubChem (CID 63180474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).