N-(2-aminophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide

C15H23N3O3 — CID 81193569

IUPACN-(2-aminophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide
SMILESCC1COC(CO)CN1CCC(=O)Nc1ccccc1N
InChIInChI=1S/C15H23N3O3/c1-11-10-21-12(9-19)8-18(11)7-6-15(20)17-14-5-3-2-4-13(14)16/h2-5,11-12,19H,6-10,16H2,1H3,(H,17,20)
InChIKeyOUQYRVLYHIEGBQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.68
Rot. Bonds5

About N-(2-aminophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide

N-(2-aminophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide (PubChem CID 81193569) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide
PubChem CID81193569
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(2-aminophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide
SMILESCC1COC(CO)CN1CCC(=O)Nc1ccccc1N
InChIInChI=1S/C15H23N3O3/c1-11-10-21-12(9-19)8-18(11)7-6-15(20)17-14-5-3-2-4-13(14)16/h2-5,11-12,19H,6-10,16H2,1H3,(H,17,20)
InChIKeyOUQYRVLYHIEGBQ-UHFFFAOYSA-N
XLogP0.68
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-3-(3-methylmorpholin-4-yl)propanamide
CID 43541694
N-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16779613
N-(2,3-dimethylphenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
CID 81212627
N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
CID 81195911
1-(2-bromophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-one
CID 81212923
N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778789
[4-[(2-amino-6-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81206386
N-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride
CID 119422356
N-(2-aminophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43590088
[5-methyl-4-(2-phenylsulfanylethyl)morpholin-2-yl]methanol
CID 81219773
[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
CID 124512761
N-(2-aminophenyl)-3-(1,3-dihydroisoindol-2-yl)propanamide
CID 62206919

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide?
The IUPAC name of N-(2-aminophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide (CID 81193569) is N-(2-aminophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide is CC1COC(CO)CN1CCC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide?
The InChIKey is OUQYRVLYHIEGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11-10-21-12(9-19)8-18(11)7-6-15(20)17-14-5-3-2-4-13(14)16/h2-5,11-12,19H,6-10,16H2,1H3,(H,17,20).
What are the key properties of N-(2-aminophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide?
N-(2-aminophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide has a molecular weight of 293.37 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide is sourced from PubChem (CID 81193569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).