N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide

C14H19N3O3 — CID 119422749

IUPACN-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide
SMILESNc1ccccc1NC(=O)CCC(=O)N1CCOCC1
InChIInChI=1S/C14H19N3O3/c15-11-3-1-2-4-12(11)16-13(18)5-6-14(19)17-7-9-20-10-8-17/h1-4H,5-10,15H2,(H,16,18)
InChIKeySJNOARRTIPXPHJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.85
Rot. Bonds4

About N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide

N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 119422749) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide
PubChem CID119422749
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide
SMILESNc1ccccc1NC(=O)CCC(=O)N1CCOCC1
InChIInChI=1S/C14H19N3O3/c15-11-3-1-2-4-12(11)16-13(18)5-6-14(19)17-7-9-20-10-8-17/h1-4H,5-10,15H2,(H,16,18)
InChIKeySJNOARRTIPXPHJ-UHFFFAOYSA-N
XLogP0.85
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.85
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)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
CID 119422748
4-morpholin-4-yl-4-oxo-N-phenylbutanamide
CID 9341047
N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 55151809
1-(2-fluorophenyl)-3-[(4-morpholin-4-yl-4-oxobutanoyl)amino]thiourea
CID 9468842
3-(2-aminophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 120608564
N-(2-aminophenyl)-3-(3-methylmorpholin-4-yl)propanamide
CID 43541694
N-(2-aminophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 119422735
N-(2-bromo-4-methylphenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 9451669
N-(3-iodophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 47102072
7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide
CID 119703947
N-(2-hydroxyphenyl)-4-oxo-4-piperazin-1-ylbutanamide
CID 39284489
N,N'-bis[2-(morpholine-4-carbonyl)phenyl]decanediamide
CID 17080133

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide (CID 119422749) is N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide is Nc1ccccc1NC(=O)CCC(=O)N1CCOCC1.
What is the InChIKey of N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is SJNOARRTIPXPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-11-3-1-2-4-12(11)16-13(18)5-6-14(19)17-7-9-20-10-8-17/h1-4H,5-10,15H2,(H,16,18).
What are the key properties of N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide?
N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 277.32 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 119422749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).