N-(3-aminophenyl)-2-(3,3-dimethylmorpholin-4-yl)propanamide

C15H23N3O2 — CID 61427964

IUPACN-(3-aminophenyl)-2-(3,3-dimethylmorpholin-4-yl)propanamide
SMILESCC(C(=O)Nc1cccc(N)c1)N1CCOCC1(C)C
InChIInChI=1S/C15H23N3O2/c1-11(18-7-8-20-10-15(18,2)3)14(19)17-13-6-4-5-12(16)9-13/h4-6,9,11H,7-8,10,16H2,1-3H3,(H,17,19)
InChIKeyCTFCJNSXHOWHOR-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.71
Rot. Bonds3

About N-(3-aminophenyl)-2-(3,3-dimethylmorpholin-4-yl)propanamide

N-(3-aminophenyl)-2-(3,3-dimethylmorpholin-4-yl)propanamide (PubChem CID 61427964) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(3,3-dimethylmorpholin-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(3,3-dimethylmorpholin-4-yl)propanamide
PubChem CID61427964
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(3-aminophenyl)-2-(3,3-dimethylmorpholin-4-yl)propanamide
SMILESCC(C(=O)Nc1cccc(N)c1)N1CCOCC1(C)C
InChIInChI=1S/C15H23N3O2/c1-11(18-7-8-20-10-15(18,2)3)14(19)17-13-6-4-5-12(16)9-13/h4-6,9,11H,7-8,10,16H2,1-3H3,(H,17,19)
InChIKeyCTFCJNSXHOWHOR-UHFFFAOYSA-N
XLogP1.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.71
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)-2-(3,3-dimethylmorpholin-4-yl)propanamide
CID 61428224
N-(2-amino-4-chlorophenyl)-2-(3,3-dimethylmorpholin-4-yl)propanamide
CID 61428323
N-(3-aminophenyl)-2-piperidin-1-ylpropanamide
CID 16795783
N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide
CID 43584975
N-(3-aminophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide
CID 66083868
N-(3-aminophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 43581148
N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
CID 61223800
N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62916842
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
CID 110482503
N-(3-aminophenyl)-2-(2-ethylmorpholin-4-yl)propanamide
CID 43562298
N-(3-aminophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62122801

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(3,3-dimethylmorpholin-4-yl)propanamide?
The IUPAC name of N-(3-aminophenyl)-2-(3,3-dimethylmorpholin-4-yl)propanamide (CID 61427964) is N-(3-aminophenyl)-2-(3,3-dimethylmorpholin-4-yl)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(3,3-dimethylmorpholin-4-yl)propanamide?
The canonical SMILES for N-(3-aminophenyl)-2-(3,3-dimethylmorpholin-4-yl)propanamide is CC(C(=O)Nc1cccc(N)c1)N1CCOCC1(C)C.
What is the InChIKey of N-(3-aminophenyl)-2-(3,3-dimethylmorpholin-4-yl)propanamide?
The InChIKey is CTFCJNSXHOWHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(18-7-8-20-10-15(18,2)3)14(19)17-13-6-4-5-12(16)9-13/h4-6,9,11H,7-8,10,16H2,1-3H3,(H,17,19).
What are the key properties of N-(3-aminophenyl)-2-(3,3-dimethylmorpholin-4-yl)propanamide?
N-(3-aminophenyl)-2-(3,3-dimethylmorpholin-4-yl)propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(3,3-dimethylmorpholin-4-yl)propanamide is sourced from PubChem (CID 61427964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).