N-(2-aminophenyl)-3-(3-methylmorpholin-4-yl)propanamide

C14H21N3O2 — CID 43541694

IUPACN-(2-aminophenyl)-3-(3-methylmorpholin-4-yl)propanamide
SMILESCC1COCCN1CCC(=O)Nc1ccccc1N
InChIInChI=1S/C14H21N3O2/c1-11-10-19-9-8-17(11)7-6-14(18)16-13-5-3-2-4-12(13)15/h2-5,11H,6-10,15H2,1H3,(H,16,18)
InChIKeyLKGPWXPGWAWORF-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.32
Rot. Bonds4

About N-(2-aminophenyl)-3-(3-methylmorpholin-4-yl)propanamide

N-(2-aminophenyl)-3-(3-methylmorpholin-4-yl)propanamide (PubChem CID 43541694) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(3-methylmorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(3-methylmorpholin-4-yl)propanamide
PubChem CID43541694
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(2-aminophenyl)-3-(3-methylmorpholin-4-yl)propanamide
SMILESCC1COCCN1CCC(=O)Nc1ccccc1N
InChIInChI=1S/C14H21N3O2/c1-11-10-19-9-8-17(11)7-6-14(18)16-13-5-3-2-4-12(13)15/h2-5,11H,6-10,15H2,1H3,(H,16,18)
InChIKeyLKGPWXPGWAWORF-UHFFFAOYSA-N
XLogP1.32
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16779613
N-(5-amino-2-methylphenyl)-3-(3-methylmorpholin-4-yl)propanamide
CID 43541688
N-(2-aminophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide
CID 81193569
N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 55151809
N-(4-amino-2-chlorophenyl)-4-(3-methylmorpholin-4-yl)butanamide
CID 43541661
N-(2-aminophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778789
N-(3-carbamothioylphenyl)-3-(3-methylmorpholin-4-yl)propanamide
CID 43542143
N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 119422749
1-(2-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one
CID 62619030
N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
CID 119422748
N-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 16793627
3-(3-methylmorpholin-4-yl)propanoic acid
CID 43542324

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(3-methylmorpholin-4-yl)propanamide?
The IUPAC name of N-(2-aminophenyl)-3-(3-methylmorpholin-4-yl)propanamide (CID 43541694) is N-(2-aminophenyl)-3-(3-methylmorpholin-4-yl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(3-methylmorpholin-4-yl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(3-methylmorpholin-4-yl)propanamide is CC1COCCN1CCC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-3-(3-methylmorpholin-4-yl)propanamide?
The InChIKey is LKGPWXPGWAWORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-10-19-9-8-17(11)7-6-14(18)16-13-5-3-2-4-12(13)15/h2-5,11H,6-10,15H2,1H3,(H,16,18).
What are the key properties of N-(2-aminophenyl)-3-(3-methylmorpholin-4-yl)propanamide?
N-(2-aminophenyl)-3-(3-methylmorpholin-4-yl)propanamide has a molecular weight of 263.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(3-methylmorpholin-4-yl)propanamide is sourced from PubChem (CID 43541694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).