N-(5-amino-2-methylphenyl)-3-(3-methylmorpholin-4-yl)propanamide

C15H23N3O2 — CID 43541688

IUPACN-(5-amino-2-methylphenyl)-3-(3-methylmorpholin-4-yl)propanamide
SMILESCc1ccc(N)cc1NC(=O)CCN1CCOCC1C
InChIInChI=1S/C15H23N3O2/c1-11-3-4-13(16)9-14(11)17-15(19)5-6-18-7-8-20-10-12(18)2/h3-4,9,12H,5-8,10,16H2,1-2H3,(H,17,19)
InChIKeyQRJWKGVXCDEIAJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.63
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-3-(3-methylmorpholin-4-yl)propanamide

N-(5-amino-2-methylphenyl)-3-(3-methylmorpholin-4-yl)propanamide (PubChem CID 43541688) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-(3-methylmorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-(3-methylmorpholin-4-yl)propanamide
PubChem CID43541688
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(5-amino-2-methylphenyl)-3-(3-methylmorpholin-4-yl)propanamide
SMILESCc1ccc(N)cc1NC(=O)CCN1CCOCC1C
InChIInChI=1S/C15H23N3O2/c1-11-3-4-13(16)9-14(11)17-15(19)5-6-18-7-8-20-10-12(18)2/h3-4,9,12H,5-8,10,16H2,1-2H3,(H,17,19)
InChIKeyQRJWKGVXCDEIAJ-UHFFFAOYSA-N
XLogP1.63
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.63
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-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54881990
N-(2-aminophenyl)-3-(3-methylmorpholin-4-yl)propanamide
CID 43541694
N-(4-amino-2-chlorophenyl)-4-(3-methylmorpholin-4-yl)butanamide
CID 43541661
N-(5-amino-2-methylphenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
CID 102777659
N-(5-amino-2-methylphenyl)-4-(2-methylpiperidin-1-yl)butanamide
CID 16779127
N-(3-carbamothioylphenyl)-3-(3-methylmorpholin-4-yl)propanamide
CID 43542143
N-(5-amino-2-methylphenyl)-3-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 81099067
N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide
CID 16794289
N-(5-amino-2-methylphenyl)-3-[3-(dimethylamino)pyrrolidin-1-yl]propanamide
CID 63166537
N-(5-amino-2-methylphenyl)-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)propanamide
CID 120568858
N-(5-amino-2-methylphenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide
CID 43447503
N-(5-amino-2-methylphenyl)-2-(oxolan-3-yloxy)acetamide
CID 63556820

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-(3-methylmorpholin-4-yl)propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-(3-methylmorpholin-4-yl)propanamide (CID 43541688) is N-(5-amino-2-methylphenyl)-3-(3-methylmorpholin-4-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-(3-methylmorpholin-4-yl)propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-(3-methylmorpholin-4-yl)propanamide is Cc1ccc(N)cc1NC(=O)CCN1CCOCC1C.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-(3-methylmorpholin-4-yl)propanamide?
The InChIKey is QRJWKGVXCDEIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-3-4-13(16)9-14(11)17-15(19)5-6-18-7-8-20-10-12(18)2/h3-4,9,12H,5-8,10,16H2,1-2H3,(H,17,19).
What are the key properties of N-(5-amino-2-methylphenyl)-3-(3-methylmorpholin-4-yl)propanamide?
N-(5-amino-2-methylphenyl)-3-(3-methylmorpholin-4-yl)propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-(3-methylmorpholin-4-yl)propanamide is sourced from PubChem (CID 43541688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).