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

C14H20ClN3O3 — CID 119422748

IUPACN-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
SMILESCl.Nc1ccccc1NC(=O)CCC(=O)N1CCOCC1
InChIInChI=1S/C14H19N3O3.ClH/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);1H
InChIKeyQSINNFIDMHCHLO-UHFFFAOYSA-N
MW313.78 g/mol
LogP1.27
Rot. Bonds4

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

N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride (PubChem CID 119422748) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.78 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
PubChem CID119422748
Molecular FormulaC14H20ClN3O3
Molecular Weight313.78 g/mol
Exact Mass313.12
IUPAC NameN-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
SMILESCl.Nc1ccccc1NC(=O)CCC(=O)N1CCOCC1
InChIInChI=1S/C14H19N3O3.ClH/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);1H
InChIKeyQSINNFIDMHCHLO-UHFFFAOYSA-N
XLogP1.27
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 51.27
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
CID 119422749
4-morpholin-4-yl-4-oxo-N-phenylbutanamide
CID 9341047
N-(2-aminophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 55151809
3-(2-aminophenyl)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 120608564
1-(2-fluorophenyl)-3-[(4-morpholin-4-yl-4-oxobutanoyl)amino]thiourea
CID 9468842
N-(2-aminophenyl)-3-(3-methylmorpholin-4-yl)propanamide
CID 43541694
3-(2-aminophenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide;hydrochloride
CID 120608729
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

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride?
The IUPAC name of N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride (CID 119422748) is N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride.
What is the SMILES notation for N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride?
The canonical SMILES for N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride is Cl.Nc1ccccc1NC(=O)CCC(=O)N1CCOCC1.
What is the InChIKey of N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride?
The InChIKey is QSINNFIDMHCHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3.ClH/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);1H.
What are the key properties of N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride?
N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride has a molecular weight of 313.78 g/mol, XLogP of 1.27, 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;hydrochloride is sourced from PubChem (CID 119422748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).